(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one

C17H16ClN7O — CID 58278350

IUPAC(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cc(CN2C(=O)/C(=C\c3ccc[nH]3)c3c(Cl)nc(N)nc32)nn1C
InChIInChI=1S/C17H16ClN7O/c1-9-6-11(23-24(9)2)8-25-15-13(14(18)21-17(19)22-15)12(16(25)26)7-10-4-3-5-20-10/h3-7,20H,8H2,1-2H3,(H2,19,21,22)/b12-7-
InChIKeyPVNMRGQXOVLXEJ-GHXNOFRVSA-N
MW369.82 g/mol
LogP2.17
Rot. Bonds3

About (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one

(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58278350) has the molecular formula C17H16ClN7O and a molecular weight of 369.82 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58278350
Molecular FormulaC17H16ClN7O
Molecular Weight369.82 g/mol
Exact Mass369.11
IUPAC Name(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cc(CN2C(=O)/C(=C\c3ccc[nH]3)c3c(Cl)nc(N)nc32)nn1C
InChIInChI=1S/C17H16ClN7O/c1-9-6-11(23-24(9)2)8-25-15-13(14(18)21-17(19)22-15)12(16(25)26)7-10-4-3-5-20-10/h3-7,20H,8H2,1-2H3,(H2,19,21,22)/b12-7-
InChIKeyPVNMRGQXOVLXEJ-GHXNOFRVSA-N
XLogP2.17
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

(S)-N-((1-(6-Chloro-2-(1,3-Dimethyl-1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-B]pyridin-7-Yl)pyrrolidin-3-Yl)methyl)acetamide
CID 71816173
(S)-N-(1-(6-Chloro-2-(1,3-Dimethyl-1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-B]pyridin-7-Yl)pyrrolidin-3-Yl)acetamide
CID 71816174
N-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-(pyrrolidine-1-carbonyl)-1H-pyrazole-5-carboxamide
CID 57377849
10,14-Dimethyl-4,5,10,13,14,19,21-heptazapentacyclo[15.5.2.12,5.012,16.020,23]pentacosa-1(22),2(25),3,12,15,17(24),18,20(23)-octaen-9-one
CID 163651620
6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 166627546
N-[(3R)-1-[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide
CID 72737597
US10022354, Example 244
CID 121279717
1-(4-chlorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 75203705
1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
CID 90192111
N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 139487714
3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 46955300
N~3~-[1-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-piperidyl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 53203559

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one (CID 58278350) is (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one is Cc1cc(CN2C(=O)/C(=C\c3ccc[nH]3)c3c(Cl)nc(N)nc32)nn1C.
What is the InChIKey of (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is PVNMRGQXOVLXEJ-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H16ClN7O/c1-9-6-11(23-24(9)2)8-25-15-13(14(18)21-17(19)22-15)12(16(25)26)7-10-4-3-5-20-10/h3-7,20H,8H2,1-2H3,(H2,19,21,22)/b12-7-.
What are the key properties of (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one?
(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 369.82 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58278350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).