N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C26H29FN6 — CID 24746541

IUPACN-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC4CCCCC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H29FN6/c1-32(2)17-18-13-15-33-23(16-18)31-24(19-8-10-20(27)11-9-19)25(33)22-12-14-28-26(30-22)29-21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,28,29,30)
InChIKeyXOFCECRXLYMPDH-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.40
Rot. Bonds6

About N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24746541) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24746541
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC NameN-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC4CCCCC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H29FN6/c1-32(2)17-18-13-15-33-23(16-18)31-24(19-8-10-20(27)11-9-19)25(33)22-12-14-28-26(30-22)29-21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,28,29,30)
InChIKeyXOFCECRXLYMPDH-UHFFFAOYSA-N
XLogP5.40
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Abemaciclib
CID 46220502
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
Vactosertib
CID 54766013
N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Tecastemizole
CID 123618
Miransertib
CID 53262401
SB-220025
CID 5164
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-4708671
CID 51371303
PF-670462
CID 51049607

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24746541) is N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NC4CCCCC4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is XOFCECRXLYMPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6/c1-32(2)17-18-13-15-33-23(16-18)31-24(19-8-10-20(27)11-9-19)25(33)22-12-14-28-26(30-22)29-21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,28,29,30).
What are the key properties of N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 444.56 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24746541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).