6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one

C23H23N7O2 — CID 154991696

IUPAC6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one
SMILESCOCCn1ccc2cc3ncn(-c4cccc(-c5nncn5C(C)C)n4)c(=O)c3cc21
InChIInChI=1S/C23H23N7O2/c1-15(2)29-14-25-27-22(29)18-5-4-6-21(26-18)30-13-24-19-11-16-7-8-28(9-10-32-3)20(16)12-17(19)23(30)31/h4-8,11-15H,9-10H2,1-3H3
InChIKeyHBRPRTOXVITBCC-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.22
Rot. Bonds6

About 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one

6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one (PubChem CID 154991696) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one
PubChem CID154991696
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one
SMILESCOCCn1ccc2cc3ncn(-c4cccc(-c5nncn5C(C)C)n4)c(=O)c3cc21
InChIInChI=1S/C23H23N7O2/c1-15(2)29-14-25-27-22(29)18-5-4-6-21(26-18)30-13-24-19-11-16-7-8-28(9-10-32-3)20(16)12-17(19)23(30)31/h4-8,11-15H,9-10H2,1-3H3
InChIKeyHBRPRTOXVITBCC-UHFFFAOYSA-N
XLogP3.22
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
CID 168007913
4-Methyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10694900
5-(2-Methoxyethyl)-1-Methyl-2-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydropyrrolo[3,2-C]pyridin-4-One
CID 126480565
4-ethyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 10624048
4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-N-(2-methoxyethyl)-5-methylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide
CID 10002351
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidine-1-carbonyl]indole-1-carboxamide
CID 10625893
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10670617
4-[(1-benzylindazol-5-yl)amino]-5-ethyl-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 21945841
N,4-dimethyl-3-[[1-phenyl-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide
CID 23400215
3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 46846866
N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 56659738
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-(2-methoxyethyl)-4-methylbenzamide
CID 56663207

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one?
The IUPAC name of 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one (CID 154991696) is 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one.
What is the SMILES notation for 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one?
The canonical SMILES for 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one is COCCn1ccc2cc3ncn(-c4cccc(-c5nncn5C(C)C)n4)c(=O)c3cc21.
What is the InChIKey of 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one?
The InChIKey is HBRPRTOXVITBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-15(2)29-14-25-27-22(29)18-5-4-6-21(26-18)30-13-24-19-11-16-7-8-28(9-10-32-3)20(16)12-17(19)23(30)31/h4-8,11-15H,9-10H2,1-3H3.
What are the key properties of 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one?
6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one has a molecular weight of 429.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one is sourced from PubChem (CID 154991696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).