N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide

C26H22BrN7O — CID 71518707

IUPACN-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESCc1nc2ccc(Br)cn2c1-c1ccnc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C26H22BrN7O/c1-16-24(34-15-19(27)10-11-23(34)31-16)22-12-13-29-26(33-22)30-14-17-6-8-18(9-7-17)25(35)32-21-5-3-2-4-20(21)28/h2-13,15H,14,28H2,1H3,(H,32,35)(H,29,30,33)
InChIKeyCIHLGRCRUORIAF-UHFFFAOYSA-N
MW528.41 g/mol
LogP5.31
Rot. Bonds6

About N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide

N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide (PubChem CID 71518707) has the molecular formula C26H22BrN7O and a molecular weight of 528.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
PubChem CID71518707
Molecular FormulaC26H22BrN7O
Molecular Weight528.41 g/mol
Exact Mass527.11
IUPAC NameN-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESCc1nc2ccc(Br)cn2c1-c1ccnc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C26H22BrN7O/c1-16-24(34-15-19(27)10-11-23(34)31-16)22-12-13-29-26(33-22)30-14-17-6-8-18(9-7-17)25(35)32-21-5-3-2-4-20(21)28/h2-13,15H,14,28H2,1H3,(H,32,35)(H,29,30,33)
InChIKeyCIHLGRCRUORIAF-UHFFFAOYSA-N
XLogP5.31
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.41
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide (CID 71518707) is N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide is Cc1nc2ccc(Br)cn2c1-c1ccnc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The InChIKey is CIHLGRCRUORIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrN7O/c1-16-24(34-15-19(27)10-11-23(34)31-16)22-12-13-29-26(33-22)30-14-17-6-8-18(9-7-17)25(35)32-21-5-3-2-4-20(21)28/h2-13,15H,14,28H2,1H3,(H,32,35)(H,29,30,33).
What are the key properties of N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide has a molecular weight of 528.41 g/mol, XLogP of 5.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 71518707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).