4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide

C22H19BrN6O2 — CID 51034712

IUPAC4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cc1Br
InChIInChI=1S/C22H19BrN6O2/c1-27-20(15(11-24-27)22(31)28-8-5-9-28)21(30)26-17-10-19-25-18(13-29(19)12-16(17)23)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,26,30)
InChIKeyMCGIHYSYYIIMOP-UHFFFAOYSA-N
MW479.34 g/mol
LogP3.60
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 51034712) has the molecular formula C22H19BrN6O2 and a molecular weight of 479.34 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
PubChem CID51034712
Molecular FormulaC22H19BrN6O2
Molecular Weight479.34 g/mol
Exact Mass478.08
IUPAC Name4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cc1Br
InChIInChI=1S/C22H19BrN6O2/c1-27-20(15(11-24-27)22(31)28-8-5-9-28)21(30)26-17-10-19-25-18(13-29(19)12-16(17)23)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,26,30)
InChIKeyMCGIHYSYYIIMOP-UHFFFAOYSA-N
XLogP3.60
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (CID 51034712) is 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cc1Br.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is MCGIHYSYYIIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN6O2/c1-27-20(15(11-24-27)22(31)28-8-5-9-28)21(30)26-17-10-19-25-18(13-29(19)12-16(17)23)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,26,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 479.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 51034712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).