7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide

C18H17N7O — CID 71763917

IUPAC7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
SMILESCc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(N)=O)[nH]c12
InChIInChI=1S/C18H17N7O/c1-10-5-12(6-11-7-14(17(19)26)23-16(10)11)22-18-20-4-3-13(24-18)15-8-25(2)9-21-15/h3-9,23H,1-2H3,(H2,19,26)(H,20,22,24)
InChIKeyOXAVCPXJNPCSHH-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.51
Rot. Bonds4

About 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide

7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide (PubChem CID 71763917) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
PubChem CID71763917
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
SMILESCc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(N)=O)[nH]c12
InChIInChI=1S/C18H17N7O/c1-10-5-12(6-11-7-14(17(19)26)23-16(10)11)22-18-20-4-3-13(24-18)15-8-25(2)9-21-15/h3-9,23H,1-2H3,(H2,19,26)(H,20,22,24)
InChIKeyOXAVCPXJNPCSHH-UHFFFAOYSA-N
XLogP2.51
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?
The IUPAC name of 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide (CID 71763917) is 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide is Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(N)=O)[nH]c12.
What is the InChIKey of 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?
The InChIKey is OXAVCPXJNPCSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-10-5-12(6-11-7-14(17(19)26)23-16(10)11)22-18-20-4-3-13(24-18)15-8-25(2)9-21-15/h3-9,23H,1-2H3,(H2,19,26)(H,20,22,24).
What are the key properties of 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?
7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 71763917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).