7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C117H110Cl5F15N28O5 — CID 159079143

IUPAC7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)Oc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.CN(C)CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.FC(F)(F)c1ccc(Nc2nc(OC3CC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.FC(F)(F)c1ccc(Nc2nc(OCCN3CCNCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.FC(F)(F)c1ccc(Nc2nc(Oc3ccccc3)nc3c2CCN(c2ncccc2Cl)C3)cc1
InChIInChI=1S/C25H27ClF3N7O.C25H19ClF3N5O.C23H24ClF3N6O.C22H19ClF3N5O.C22H21ClF3N5O/c26-20-2-1-8-31-23(20)36-11-7-19-21(16-36)33-24(37-15-14-35-12-9-30-10-13-35)34-22(19)32-18-5-3-17(4-6-18)25(27,28)29;26-20-7-4-13-30-23(20)34-14-12-19-21(15-34)32-24(35-18-5-2-1-3-6-18)33-22(19)31-17-10-8-16(9-11-17)25(27,28)29;1-32(2)12-13-34-22-30-19-14-33(21-18(24)4-3-10-28-21)11-9-17(19)20(31-22)29-16-7-5-15(6-8-16)23(25,26)27;23-17-2-1-10-27-20(17)31-11-9-16-18(12-31)29-21(32-15-7-8-15)30-19(16)28-14-5-3-13(4-6-14)22(24,25)26;1-13(2)32-21-29-18-12-31(20-17(23)4-3-10-27-20)11-9-16(18)19(30-21)28-15-7-5-14(6-8-15)22(24,25)26/h1-6,8,30H,7,9-16H2,(H,32,33,34);1-11,13H,12,14-15H2,(H,31,32,33);3-8,10H,9,11-14H2,1-2H3,(H,29,30,31);1-6,10,15H,7-9,11-12H2,(H,28,29,30);3-8,10,13H,9,11-12H2,1-2H3,(H,28,29,30)
InChIKeyKAQDZIWACRBGLN-UHFFFAOYSA-N
MW2450.59 g/mol
LogP26.60
Rot. Bonds29

About 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 159079143) has the molecular formula C117H110Cl5F15N28O5 and a molecular weight of 2450.59 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID159079143
Molecular FormulaC117H110Cl5F15N28O5
Molecular Weight2450.59 g/mol
Exact Mass2446.74
IUPAC Name7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)Oc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.CN(C)CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.FC(F)(F)c1ccc(Nc2nc(OC3CC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.FC(F)(F)c1ccc(Nc2nc(OCCN3CCNCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.FC(F)(F)c1ccc(Nc2nc(Oc3ccccc3)nc3c2CCN(c2ncccc2Cl)C3)cc1
InChIInChI=1S/C25H27ClF3N7O.C25H19ClF3N5O.C23H24ClF3N6O.C22H19ClF3N5O.C22H21ClF3N5O/c26-20-2-1-8-31-23(20)36-11-7-19-21(16-36)33-24(37-15-14-35-12-9-30-10-13-35)34-22(19)32-18-5-3-17(4-6-18)25(27,28)29;26-20-7-4-13-30-23(20)34-14-12-19-21(15-34)32-24(35-18-5-2-1-3-6-18)33-22(19)31-17-10-8-16(9-11-17)25(27,28)29;1-32(2)12-13-34-22-30-19-14-33(21-18(24)4-3-10-28-21)11-9-17(19)20(31-22)29-16-7-5-15(6-8-16)23(25,26)27;23-17-2-1-10-27-20(17)31-11-9-16-18(12-31)29-21(32-15-7-8-15)30-19(16)28-14-5-3-13(4-6-14)22(24,25)26;1-13(2)32-21-29-18-12-31(20-17(23)4-3-10-27-20)11-9-16(18)19(30-21)28-15-7-5-14(6-8-15)22(24,25)26/h1-6,8,30H,7,9-16H2,(H,32,33,34);1-11,13H,12,14-15H2,(H,31,32,33);3-8,10H,9,11-14H2,1-2H3,(H,29,30,31);1-6,10,15H,7-9,11-12H2,(H,28,29,30);3-8,10,13H,9,11-12H2,1-2H3,(H,28,29,30)
InChIKeyKAQDZIWACRBGLN-UHFFFAOYSA-N
XLogP26.60
TPSA334.36 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002450.59
LogP ≤ 526.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

7-(3-chloropyridin-2-yl)-2-(phenoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 11214414
7-(3-chloropyridin-2-yl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 11271813
7-(3-chloropyridin-2-yl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 11329474
7-(3-chloropyridin-2-yl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030252
2-N-[4-[[[4-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 57714636
2-N-[4-[[4-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 57715530
N-[4-[7-(5-fluoropyrimidin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
CID 59239215
N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
CID 67177721
N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 91154636
2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine
CID 91159639
ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 142951045
N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one
CID 157088240

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 159079143) is 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC(C)Oc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.CN(C)CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.FC(F)(F)c1ccc(Nc2nc(OC3CC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.FC(F)(F)c1ccc(Nc2nc(OCCN3CCNCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.FC(F)(F)c1ccc(Nc2nc(Oc3ccccc3)nc3c2CCN(c2ncccc2Cl)C3)cc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KAQDZIWACRBGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF3N7O.C25H19ClF3N5O.C23H24ClF3N6O.C22H19ClF3N5O.C22H21ClF3N5O/c26-20-2-1-8-31-23(20)36-11-7-19-21(16-36)33-24(37-15-14-35-12-9-30-10-13-35)34-22(19)32-18-5-3-17(4-6-18)25(27,28)29;26-20-7-4-13-30-23(20)34-14-12-19-21(15-34)32-24(35-18-5-2-1-3-6-18)33-22(19)31-17-10-8-16(9-11-17)25(27,28)29;1-32(2)12-13-34-22-30-19-14-33(21-18(24)4-3-10-28-21)11-9-17(19)20(31-22)29-16-7-5-15(6-8-16)23(25,26)27;23-17-2-1-10-27-20(17)31-11-9-16-18(12-31)29-21(32-15-7-8-15)30-19(16)28-14-5-3-13(4-6-14)22(24,25)26;1-13(2)32-21-29-18-12-31(20-17(23)4-3-10-27-20)11-9-16(18)19(30-21)28-15-7-5-14(6-8-15)22(24,25)26/h1-6,8,30H,7,9-16H2,(H,32,33,34);1-11,13H,12,14-15H2,(H,31,32,33);3-8,10H,9,11-14H2,1-2H3,(H,29,30,31);1-6,10,15H,7-9,11-12H2,(H,28,29,30);3-8,10,13H,9,11-12H2,1-2H3,(H,28,29,30).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2450.59 g/mol, XLogP of 26.60, 29 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159079143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).