2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C14H12N8O — CID 155786359

IUPAC2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCn1cnc(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)c1
InChIInChI=1S/C14H12N8O/c1-21-6-10(17-8-21)19-13(23)12-11-9(2-3-16-11)18-14(20-12)22-5-4-15-7-22/h2-8,16H,1H3,(H,19,23)
InChIKeyYFPWNSCHPHHELR-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.13
Rot. Bonds3

About 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786359) has the molecular formula C14H12N8O and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786359
Molecular FormulaC14H12N8O
Molecular Weight308.31 g/mol
Exact Mass308.11
IUPAC Name2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCn1cnc(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)c1
InChIInChI=1S/C14H12N8O/c1-21-6-10(17-8-21)19-13(23)12-11-9(2-3-16-11)18-14(20-12)22-5-4-15-7-22/h2-8,16H,1H3,(H,19,23)
InChIKeyYFPWNSCHPHHELR-UHFFFAOYSA-N
XLogP1.13
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786221
2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786430
2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598623
2-imidazol-1-yl-N-[4-(2-methoxypropan-2-yl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786376
2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786397
2-imidazol-1-yl-N-[4-(3,3,3-trifluoropropyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158260547
N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598626
N-[4-(2-hydroxy-3-methylbutoxy)cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 175222064
N-[4-[(2S)-2-hydroxy-2,3-dimethylbutoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[4-[(2R)-2-hydroxy-2,3-dimethylbutoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 162221230
2-imidazol-1-yl-N-[4-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-imidazol-1-yl-N-[4-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158490945
N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786395
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155786359) is 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is Cn1cnc(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)c1.
What is the InChIKey of 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is YFPWNSCHPHHELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8O/c1-21-6-10(17-8-21)19-13(23)12-11-9(2-3-16-11)18-14(20-12)22-5-4-15-7-22/h2-8,16H,1H3,(H,19,23).
What are the key properties of 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).