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

C25H27FN6 — CID 24746386

IUPACN-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H27FN6/c1-31(2)16-17-12-14-32-22(15-17)30-23(18-7-9-19(26)10-8-18)24(32)21-11-13-27-25(29-21)28-20-5-3-4-6-20/h7-15,20H,3-6,16H2,1-2H3,(H,27,28,29)
InChIKeyCZSWJDCPUDLFCC-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.01
Rot. Bonds6

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

N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24746386) has the molecular formula C25H27FN6 and a molecular weight of 430.53 g/mol. Its IUPAC name is N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24746386
Molecular FormulaC25H27FN6
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC NameN-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H27FN6/c1-31(2)16-17-12-14-32-22(15-17)30-23(18-7-9-19(26)10-8-18)24(32)21-11-13-27-25(29-21)28-20-5-3-4-6-20/h7-15,20H,3-6,16H2,1-2H3,(H,27,28,29)
InChIKeyCZSWJDCPUDLFCC-UHFFFAOYSA-N
XLogP5.01
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24746386) is N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is CZSWJDCPUDLFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6/c1-31(2)16-17-12-14-32-22(15-17)30-23(18-7-9-19(26)10-8-18)24(32)21-11-13-27-25(29-21)28-20-5-3-4-6-20/h7-15,20H,3-6,16H2,1-2H3,(H,27,28,29).
What are the key properties of N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 430.53 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24746386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).