8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

C83H62F13N27O — CID 161025403

IUPAC8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCNCC3)n[nH]1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ncncc34)n[nH]c12.NCCOc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12.Nc1ncc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C24H19F3N6O.C20H11F4N7.C20H13F3N8.C19H19F3N6/c25-24(26,27)17-9-3-1-6-14(17)21-29-20-16(8-5-11-19(20)34-13-12-28)22(30-21)31-23-15-7-2-4-10-18(15)32-33-23;21-14-7-3-5-11-15(14)30-31-19(11)29-18-12-8-25-9-26-16(12)27-17(28-18)10-4-1-2-6-13(10)20(22,23)24;21-20(22,23)13-7-3-1-5-10(13)15-26-16(12-9-25-19(24)29-17(12)27-15)28-18-11-6-2-4-8-14(11)30-31-18;1-11-10-16(28-27-11)25-18-13-6-8-23-9-7-15(13)24-17(26-18)12-4-2-3-5-14(12)19(20,21)22/h1-11H,12-13,28H2,(H2,29,30,31,32,33);1-9H,(H2,25,26,27,28,29,30,31);1-9H,(H4,24,25,26,27,28,29,30,31);2-5,10,23H,6-9H2,1H3,(H2,24,25,26,27,28)
InChIKeyTYXIKRGGRRVARZ-UHFFFAOYSA-N
MW1700.57 g/mol
LogP18.07
Rot. Bonds15

About 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (PubChem CID 161025403) has the molecular formula C83H62F13N27O and a molecular weight of 1700.57 g/mol. Its IUPAC name is 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.

Molecular Properties

Compound Name8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
PubChem CID161025403
Molecular FormulaC83H62F13N27O
Molecular Weight1700.57 g/mol
Exact Mass1699.54
IUPAC Name8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCNCC3)n[nH]1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ncncc34)n[nH]c12.NCCOc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12.Nc1ncc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C24H19F3N6O.C20H11F4N7.C20H13F3N8.C19H19F3N6/c25-24(26,27)17-9-3-1-6-14(17)21-29-20-16(8-5-11-19(20)34-13-12-28)22(30-21)31-23-15-7-2-4-10-18(15)32-33-23;21-14-7-3-5-11-15(14)30-31-19(11)29-18-12-8-25-9-26-16(12)27-17(28-18)10-4-1-2-6-13(10)20(22,23)24;21-20(22,23)13-7-3-1-5-10(13)15-26-16(12-9-25-19(24)29-17(12)27-15)28-18-11-6-2-4-8-14(11)30-31-18;1-11-10-16(28-27-11)25-18-13-6-8-23-9-7-15(13)24-17(26-18)12-4-2-3-5-14(12)19(20,21)22/h1-11H,12-13,28H2,(H2,29,30,31,32,33);1-9H,(H2,25,26,27,28,29,30,31);1-9H,(H4,24,25,26,27,28,29,30,31);2-5,10,23H,6-9H2,1H3,(H2,24,25,26,27,28)
InChIKeyTYXIKRGGRRVARZ-UHFFFAOYSA-N
XLogP18.07
TPSA390.82 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001700.57
LogP ≤ 518.07
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine with MolForge

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Related Compounds

US20240150366, Example 13
CID 164875478
8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 20626338
N-(5-fluoro-1H-indazol-3-yl)-8-phenylmethoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 59213657
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
CID 136945838
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 136945855
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137034101
2-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137041027
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137041067
2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137041151
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137041200
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137041269
2-[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137041273

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The IUPAC name of 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (CID 161025403) is 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.
What is the SMILES notation for 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The canonical SMILES for 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is Cc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCNCC3)n[nH]1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ncncc34)n[nH]c12.NCCOc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12.Nc1ncc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc2n1.
What is the InChIKey of 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The InChIKey is TYXIKRGGRRVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O.C20H11F4N7.C20H13F3N8.C19H19F3N6/c25-24(26,27)17-9-3-1-6-14(17)21-29-20-16(8-5-11-19(20)34-13-12-28)22(30-21)31-23-15-7-2-4-10-18(15)32-33-23;21-14-7-3-5-11-15(14)30-31-19(11)29-18-12-8-25-9-26-16(12)27-17(28-18)10-4-1-2-6-13(10)20(22,23)24;21-20(22,23)13-7-3-1-5-10(13)15-26-16(12-9-25-19(24)29-17(12)27-15)28-18-11-6-2-4-8-14(11)30-31-18;1-11-10-16(28-27-11)25-18-13-6-8-23-9-7-15(13)24-17(26-18)12-4-2-3-5-14(12)19(20,21)22/h1-11H,12-13,28H2,(H2,29,30,31,32,33);1-9H,(H2,25,26,27,28,29,30,31);1-9H,(H4,24,25,26,27,28,29,30,31);2-5,10,23H,6-9H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine has a molecular weight of 1700.57 g/mol, XLogP of 18.07, 15 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine;5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is sourced from PubChem (CID 161025403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).