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;molecular hydrogen

C23H29F3N6O3 — CID 158887898

IUPAC2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
SMILESCOc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H23F3N6O3.3H2/c1-22(2,21(33)29-11-23(24,25)26)32-20-13-8-16(34-3)17(35-4)9-15(13)30-19(31-20)14-10-28-18-12(14)6-5-7-27-18;;;/h5-10H,11H2,1-4H3,(H,27,28)(H,29,33)(H,30,31,32);3*1H
InChIKeyJDVYTPOZPWSPAF-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.80
Rot. Bonds7

About 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;molecular hydrogen

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;molecular hydrogen (PubChem CID 158887898) has the molecular formula C23H29F3N6O3 and a molecular weight of 494.52 g/mol. Its IUPAC name is 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;molecular hydrogen.

Molecular Properties

Compound Name2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
PubChem CID158887898
Molecular FormulaC23H29F3N6O3
Molecular Weight494.52 g/mol
Exact Mass494.23
IUPAC Name2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
SMILESCOc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H23F3N6O3.3H2/c1-22(2,21(33)29-11-23(24,25)26)32-20-13-8-16(34-3)17(35-4)9-15(13)30-19(31-20)14-10-28-18-12(14)6-5-7-27-18;;;/h5-10H,11H2,1-4H3,(H,27,28)(H,29,33)(H,30,31,32);3*1H
InChIKeyJDVYTPOZPWSPAF-UHFFFAOYSA-N
XLogP4.80
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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;molecular hydrogen with MolForge

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Related Compounds

CP466722
CID 44551660
2-(4-(3,4-Dimethoxyphenylamino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-ylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide
CID 24767923
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
2-(1H-imidazol-1-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 44236916
Benzo[c][2,7]naphthyridine, 21
CID 44236918
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide
CID 10121709
2-{4-[(6,7-Dimethoxyquinazolin-4-yl)amino]-1h-pyrazol-1-yl}-n-(3-fluorophenyl)acetamide
CID 57391179
Ethanone, 1-[5-[(6,7-dimethoxy-4-quinazolinyl)amino]-4-fluoro-2,3-dihydro-1H-indol-1-yl]-2-(2-methyl-1H-indol-3-yl)-
CID 86281830
2-(2,5-Difluorophenyl)-1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 117636472
N-(1H-indol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330183
6,7-Dimethoxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 13869537
6,7-Dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 13869549

Frequently Asked Questions

What is the IUPAC name of 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;molecular hydrogen?
The IUPAC name of 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;molecular hydrogen (CID 158887898) is 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;molecular hydrogen.
What is the SMILES notation for 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;molecular hydrogen?
The canonical SMILES for 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;molecular hydrogen is COc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.[H][H].[H][H].[H][H].
What is the InChIKey of 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;molecular hydrogen?
The InChIKey is JDVYTPOZPWSPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O3.3H2/c1-22(2,21(33)29-11-23(24,25)26)32-20-13-8-16(34-3)17(35-4)9-15(13)30-19(31-20)14-10-28-18-12(14)6-5-7-27-18;;;/h5-10H,11H2,1-4H3,(H,27,28)(H,29,33)(H,30,31,32);3*1H.
What are the key properties of 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;molecular hydrogen?
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;molecular hydrogen has a molecular weight of 494.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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;molecular hydrogen is sourced from PubChem (CID 158887898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).