N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C26H20BrN7O — CID 165414991

IUPACN-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc2nc(-c3ccccc3)cn2cc1Br)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C26H20BrN7O/c27-19-13-34-14-23(16-4-2-1-3-5-16)31-24(34)10-22(19)33-26(35)25-21(30-18-11-28-15-29-12-18)9-8-20(32-25)17-6-7-17/h1-5,8-15,17,30H,6-7H2,(H,33,35)
InChIKeyCDALUHPCODGPSB-UHFFFAOYSA-N
MW526.40 g/mol
LogP5.82
Rot. Bonds6

About N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165414991) has the molecular formula C26H20BrN7O and a molecular weight of 526.40 g/mol. Its IUPAC name is N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165414991
Molecular FormulaC26H20BrN7O
Molecular Weight526.40 g/mol
Exact Mass525.09
IUPAC NameN-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc2nc(-c3ccccc3)cn2cc1Br)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C26H20BrN7O/c27-19-13-34-14-23(16-4-2-1-3-5-16)31-24(34)10-22(19)33-26(35)25-21(30-18-11-28-15-29-12-18)9-8-20(32-25)17-6-7-17/h1-5,8-15,17,30H,6-7H2,(H,33,35)
InChIKeyCDALUHPCODGPSB-UHFFFAOYSA-N
XLogP5.82
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.40
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165414991) is N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc2nc(-c3ccccc3)cn2cc1Br)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is CDALUHPCODGPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrN7O/c27-19-13-34-14-23(16-4-2-1-3-5-16)31-24(34)10-22(19)33-26(35)25-21(30-18-11-28-15-29-12-18)9-8-20(32-25)17-6-7-17/h1-5,8-15,17,30H,6-7H2,(H,33,35).
What are the key properties of N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 526.40 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-phenylimidazo[1,2-a]pyridin-7-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165414991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).