2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen

C60H78Cl3F5N18O5 — CID 157194428

IUPAC2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen
SMILESCCN(C)C(=O)[C@@](C)(CC)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCC(F)F.COc1cc2nc(-c3c[nH]c4ncc(Cl)cc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22ClF3N6O3.C19H23ClN6O.C18H19ClF2N6O.7H2/c1-22(2,21(34)30-10-23(25,26)27)33-20-13-6-16(35-3)17(36-4)7-15(13)31-19(32-20)14-9-29-18-12(14)5-11(24)8-28-18;1-5-19(3,18(27)26(4)6-2)25-15-7-8-21-17(24-15)14-11-23-16-13(14)9-12(20)10-22-16;1-3-18(2,17(28)25-9-13(20)21)27-14-4-5-22-16(26-14)12-8-24-15-11(12)6-10(19)7-23-15;;;;;;;/h5-9H,10H2,1-4H3,(H,28,29)(H,30,34)(H,31,32,33);7-11H,5-6H2,1-4H3,(H,22,23)(H,21,24,25);4-8,13H,3,9H2,1-2H3,(H,23,24)(H,25,28)(H,22,26,27);7*1H/t;19-;18-;;;;;;;/m.11......./s1
InChIKeyAQBRKXRXAOVNJX-WUMAQWRLSA-N
MW1332.75 g/mol
LogP13.80
Rot. Bonds20

About 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen

2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen (PubChem CID 157194428) has the molecular formula C60H78Cl3F5N18O5 and a molecular weight of 1332.75 g/mol. Its IUPAC name is 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen.

Molecular Properties

Compound Name2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen
PubChem CID157194428
Molecular FormulaC60H78Cl3F5N18O5
Molecular Weight1332.75 g/mol
Exact Mass1330.54
IUPAC Name2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen
SMILESCCN(C)C(=O)[C@@](C)(CC)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCC(F)F.COc1cc2nc(-c3c[nH]c4ncc(Cl)cc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22ClF3N6O3.C19H23ClN6O.C18H19ClF2N6O.7H2/c1-22(2,21(34)30-10-23(25,26)27)33-20-13-6-16(35-3)17(36-4)7-15(13)31-19(32-20)14-9-29-18-12(14)5-11(24)8-28-18;1-5-19(3,18(27)26(4)6-2)25-15-7-8-21-17(24-15)14-11-23-16-13(14)9-12(20)10-22-16;1-3-18(2,17(28)25-9-13(20)21)27-14-4-5-22-16(26-14)12-8-24-15-11(12)6-10(19)7-23-15;;;;;;;/h5-9H,10H2,1-4H3,(H,28,29)(H,30,34)(H,31,32,33);7-11H,5-6H2,1-4H3,(H,22,23)(H,21,24,25);4-8,13H,3,9H2,1-2H3,(H,23,24)(H,25,28)(H,22,26,27);7*1H/t;19-;18-;;;;;;;/m.11......./s1
InChIKeyAQBRKXRXAOVNJX-WUMAQWRLSA-N
XLogP13.80
TPSA296.44 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001332.75
LogP ≤ 513.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen with MolForge

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Related Compounds

N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707551
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CID 59422112
N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide
CID 59422190
2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide
CID 59422264
2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 59422270
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 59422282
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 59422330
2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 70826760
N-(2,2-difluoroethyl)-2-[[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methylpropanamide
CID 118650823
N-(2-fluoroethyl)-2-[[7-hydroxy-6-methoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide
CID 137017470
N-[3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propyl]-4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazine-1-carboxamide
CID 155475762
2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 157377901

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen?
The IUPAC name of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen (CID 157194428) is 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen.
What is the SMILES notation for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen?
The canonical SMILES for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen is CCN(C)C(=O)[C@@](C)(CC)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCC(F)F.COc1cc2nc(-c3c[nH]c4ncc(Cl)cc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen?
The InChIKey is AQBRKXRXAOVNJX-WUMAQWRLSA-N. The full InChI is InChI=1S/C23H22ClF3N6O3.C19H23ClN6O.C18H19ClF2N6O.7H2/c1-22(2,21(34)30-10-23(25,26)27)33-20-13-6-16(35-3)17(36-4)7-15(13)31-19(32-20)14-9-29-18-12(14)5-11(24)8-28-18;1-5-19(3,18(27)26(4)6-2)25-15-7-8-21-17(24-15)14-11-23-16-13(14)9-12(20)10-22-16;1-3-18(2,17(28)25-9-13(20)21)27-14-4-5-22-16(26-14)12-8-24-15-11(12)6-10(19)7-23-15;;;;;;;/h5-9H,10H2,1-4H3,(H,28,29)(H,30,34)(H,31,32,33);7-11H,5-6H2,1-4H3,(H,22,23)(H,21,24,25);4-8,13H,3,9H2,1-2H3,(H,23,24)(H,25,28)(H,22,26,27);7*1H/t;19-;18-;;;;;;;/m.11......./s1.
What are the key properties of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen?
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen has a molecular weight of 1332.75 g/mol, XLogP of 13.80, 20 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-ethyl-N,2-dimethylbutanamide;molecular hydrogen is sourced from PubChem (CID 157194428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).