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

C26H23N7O — CID 58930542

IUPACN-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESCc1nc2ccccn2c1-c1ccnc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C26H23N7O/c1-17-24(33-15-5-4-8-23(33)30-17)22-13-14-28-26(32-22)29-16-18-9-11-19(12-10-18)25(34)31-21-7-3-2-6-20(21)27/h2-15H,16,27H2,1H3,(H,31,34)(H,28,29,32)
InChIKeyBGXOHPVLYIEUCQ-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.55
Rot. Bonds6

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

N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide (PubChem CID 58930542) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
PubChem CID58930542
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC NameN-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESCc1nc2ccccn2c1-c1ccnc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C26H23N7O/c1-17-24(33-15-5-4-8-23(33)30-17)22-13-14-28-26(32-22)29-16-18-9-11-19(12-10-18)25(34)31-21-7-3-2-6-20(21)27/h2-15H,16,27H2,1H3,(H,31,34)(H,28,29,32)
InChIKeyBGXOHPVLYIEUCQ-UHFFFAOYSA-N
XLogP4.55
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
CID 72705687
N-(2-aminophenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611377
N-(2-aminophenyl)-4-[[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611113
5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 58930578
N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide
CID 68609780
N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 59176804
N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 44570853
methyl 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopropyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 56848376
N-(2-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 6539019
N-(2-aminophenyl)-4-[[[4-[3-[2-(dimethylamino)ethoxy]phenyl]pyrimidin-2-yl]amino]methyl]benzamide
CID 44570975
N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 158055294
N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide;methane;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 160960136

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide (CID 58930542) is N-(2-aminophenyl)-4-[[[4-(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-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide is Cc1nc2ccccn2c1-c1ccnc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The InChIKey is BGXOHPVLYIEUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-17-24(33-15-5-4-8-23(33)30-17)22-13-14-28-26(32-22)29-16-18-9-11-19(12-10-18)25(34)31-21-7-3-2-6-20(21)27/h2-15H,16,27H2,1H3,(H,31,34)(H,28,29,32).
What are the key properties of N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide has a molecular weight of 449.52 g/mol, XLogP of 4.55, 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-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 58930542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).