N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C15H10BrN7O — CID 155786221

IUPACN-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1nc(-n2ccnc2)nc2cc[nH]c12
InChIInChI=1S/C15H10BrN7O/c16-11-2-1-9(7-19-11)20-14(24)13-12-10(3-4-18-12)21-15(22-13)23-6-5-17-8-23/h1-8,18H,(H,20,24)
InChIKeyFJCPLNPTZCSKQW-UHFFFAOYSA-N
MW384.20 g/mol
LogP2.55
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786221) has the molecular formula C15H10BrN7O and a molecular weight of 384.20 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786221
Molecular FormulaC15H10BrN7O
Molecular Weight384.20 g/mol
Exact Mass383.01
IUPAC NameN-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1nc(-n2ccnc2)nc2cc[nH]c12
InChIInChI=1S/C15H10BrN7O/c16-11-2-1-9(7-19-11)20-14(24)13-12-10(3-4-18-12)21-15(22-13)23-6-5-17-8-23/h1-8,18H,(H,20,24)
InChIKeyFJCPLNPTZCSKQW-UHFFFAOYSA-N
XLogP2.55
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786359
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-(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
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
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
N-[4-(2-hydroxy-3-methylbutoxy)cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 175222064
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-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786395

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155786221) is N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is O=C(Nc1ccc(Br)nc1)c1nc(-n2ccnc2)nc2cc[nH]c12.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is FJCPLNPTZCSKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN7O/c16-11-2-1-9(7-19-11)20-14(24)13-12-10(3-4-18-12)21-15(22-13)23-6-5-17-8-23/h1-8,18H,(H,20,24).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 384.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).