(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C98H120F3N21O10S4 — CID 160609529

IUPAC(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(C#N)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(C2CC2)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OC2CC2)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OCC(F)(F)F)nc2c1C=CC2
InChIInChI=1S/C25H31N5O3S.C25H31N5O2S.C24H28F3N5O3S.C23H26N6O2S.CH4/c1-16-12-22-20(25(27-15-26-22)17-8-10-29(11-9-17)34(2,31)32)14-30(16)23-13-24(33-18-6-7-18)28-21-5-3-4-19(21)23;1-16-12-23-20(25(27-15-26-23)18-8-10-29(11-9-18)33(2,31)32)14-30(16)24-13-22(17-6-7-17)28-21-5-3-4-19(21)24;1-15-10-20-18(23(29-14-28-20)16-6-8-31(9-7-16)36(2,33)34)12-32(15)21-11-22(35-13-24(25,26)27)30-19-5-3-4-17(19)21;1-15-10-21-19(13-29(15)22-11-17(12-24)27-20-5-3-4-18(20)22)23(26-14-25-21)16-6-8-28(9-7-16)32(2,30)31;/h3-4,13,15-18H,5-12,14H2,1-2H3;3-4,13,15-18H,5-12,14H2,1-2H3;3-4,11,14-16H,5-10,12-13H2,1-2H3;3-4,11,14-16H,5-10,13H2,1-2H3;1H4/t2*16-;2*15-;/m1111./s1
InChIKeyRFIFBWMIAGSFRQ-ZXGDRCDZSA-N
MW1937.44 g/mol
LogP12.99
Rot. Bonds17

About (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 160609529) has the molecular formula C98H120F3N21O10S4 and a molecular weight of 1937.44 g/mol. Its IUPAC name is (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID160609529
Molecular FormulaC98H120F3N21O10S4
Molecular Weight1937.44 g/mol
Exact Mass1935.84
IUPAC Name(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(C#N)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(C2CC2)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OC2CC2)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OCC(F)(F)F)nc2c1C=CC2
InChIInChI=1S/C25H31N5O3S.C25H31N5O2S.C24H28F3N5O3S.C23H26N6O2S.CH4/c1-16-12-22-20(25(27-15-26-22)17-8-10-29(11-9-17)34(2,31)32)14-30(16)23-13-24(33-18-6-7-18)28-21-5-3-4-19(21)23;1-16-12-23-20(25(27-15-26-23)18-8-10-29(11-9-18)33(2,31)32)14-30(16)24-13-22(17-6-7-17)28-21-5-3-4-19(21)24;1-15-10-20-18(23(29-14-28-20)16-6-8-31(9-7-16)36(2,33)34)12-32(15)21-11-22(35-13-24(25,26)27)30-19-5-3-4-17(19)21;1-15-10-21-19(13-29(15)22-11-17(12-24)27-20-5-3-4-18(20)22)23(26-14-25-21)16-6-8-28(9-7-16)32(2,30)31;/h3-4,13,15-18H,5-12,14H2,1-2H3;3-4,13,15-18H,5-12,14H2,1-2H3;3-4,11,14-16H,5-10,12-13H2,1-2H3;3-4,11,14-16H,5-10,13H2,1-2H3;1H4/t2*16-;2*15-;/m1111./s1
InChIKeyRFIFBWMIAGSFRQ-ZXGDRCDZSA-N
XLogP12.99
TPSA359.41 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001937.44
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158113288
(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158113291
6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158328313
6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 157390552
6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(2-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158328310
6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158944986
(7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile
CID 160179842
6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 162174799
(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 157390555
(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158328312
(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 160179844

Frequently Asked Questions

What is the IUPAC name of (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 160609529) is (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(C#N)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(C2CC2)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OC2CC2)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OCC(F)(F)F)nc2c1C=CC2.
What is the InChIKey of (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RFIFBWMIAGSFRQ-ZXGDRCDZSA-N. The full InChI is InChI=1S/C25H31N5O3S.C25H31N5O2S.C24H28F3N5O3S.C23H26N6O2S.CH4/c1-16-12-22-20(25(27-15-26-22)17-8-10-29(11-9-17)34(2,31)32)14-30(16)23-13-24(33-18-6-7-18)28-21-5-3-4-19(21)23;1-16-12-23-20(25(27-15-26-23)18-8-10-29(11-9-18)33(2,31)32)14-30(16)24-13-22(17-6-7-17)28-21-5-3-4-19(21)24;1-15-10-20-18(23(29-14-28-20)16-6-8-31(9-7-16)36(2,33)34)12-32(15)21-11-22(35-13-24(25,26)27)30-19-5-3-4-17(19)21;1-15-10-21-19(13-29(15)22-11-17(12-24)27-20-5-3-4-18(20)22)23(26-14-25-21)16-6-8-28(9-7-16)32(2,30)31;/h3-4,13,15-18H,5-12,14H2,1-2H3;3-4,13,15-18H,5-12,14H2,1-2H3;3-4,11,14-16H,5-10,12-13H2,1-2H3;3-4,11,14-16H,5-10,13H2,1-2H3;1H4/t2*16-;2*15-;/m1111./s1.
What are the key properties of (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 1937.44 g/mol, XLogP of 12.99, 17 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 160609529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).