2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide

C18H12ClN5O — CID 53466934

IUPAC2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccn2cc(-c3ccccc3)nc2n1)c1ccnc(Cl)c1
InChIInChI=1S/C18H12ClN5O/c19-15-10-13(6-8-20-15)17(25)22-16-7-9-24-11-14(21-18(24)23-16)12-4-2-1-3-5-12/h1-11H,(H,21,22,23,25)
InChIKeyNTPKAERZMMJNTN-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.70
Rot. Bonds3

About 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide

2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide (PubChem CID 53466934) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide
PubChem CID53466934
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC Name2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccn2cc(-c3ccccc3)nc2n1)c1ccnc(Cl)c1
InChIInChI=1S/C18H12ClN5O/c19-15-10-13(6-8-20-15)17(25)22-16-7-9-24-11-14(21-18(24)23-16)12-4-2-1-3-5-12/h1-11H,(H,21,22,23,25)
InChIKeyNTPKAERZMMJNTN-UHFFFAOYSA-N
XLogP3.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide
CID 67384270
4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388568
1-methyl-4-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-3-carboxylic acid
CID 67391783
4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide
CID 67388723
1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 90206413
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
ethyl 1-ethyl-3-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 67388015
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-3-carboxamide
CID 122285141
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 53467806
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide (CID 53466934) is 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide is O=C(Nc1ccn2cc(-c3ccccc3)nc2n1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide?
The InChIKey is NTPKAERZMMJNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c19-15-10-13(6-8-20-15)17(25)22-16-7-9-24-11-14(21-18(24)23-16)12-4-2-1-3-5-12/h1-11H,(H,21,22,23,25).
What are the key properties of 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide?
2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide is sourced from PubChem (CID 53466934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).