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

C24H25FN6 — CID 24746382

IUPACN-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCC4CC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H25FN6/c1-30(2)15-17-10-12-31-21(13-17)29-22(18-5-7-19(25)8-6-18)23(31)20-9-11-26-24(28-20)27-14-16-3-4-16/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,27,28)
InChIKeyGQZVIHBLRZQEEV-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.48
Rot. Bonds7

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

N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24746382) has the molecular formula C24H25FN6 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24746382
Molecular FormulaC24H25FN6
Molecular Weight416.50 g/mol
Exact Mass416.21
IUPAC NameN-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCC4CC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H25FN6/c1-30(2)15-17-10-12-31-21(13-17)29-22(18-5-7-19(25)8-6-18)23(31)20-9-11-26-24(28-20)27-14-16-3-4-16/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,27,28)
InChIKeyGQZVIHBLRZQEEV-UHFFFAOYSA-N
XLogP4.48
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24746382) is N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NCC4CC4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is GQZVIHBLRZQEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6/c1-30(2)15-17-10-12-31-21(13-17)29-22(18-5-7-19(25)8-6-18)23(31)20-9-11-26-24(28-20)27-14-16-3-4-16/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,27,28).
What are the key properties of N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 416.50 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24746382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).