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

C23H23FN6 — CID 24746216

IUPACN-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H23FN6/c1-29(2)14-15-10-12-30-20(13-15)28-21(16-3-5-17(24)6-4-16)22(30)19-9-11-25-23(27-19)26-18-7-8-18/h3-6,9-13,18H,7-8,14H2,1-2H3,(H,25,26,27)
InChIKeyIAFVOWKKCMRQKD-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.23
Rot. Bonds6

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

N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24746216) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24746216
Molecular FormulaC23H23FN6
Molecular Weight402.48 g/mol
Exact Mass402.20
IUPAC NameN-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H23FN6/c1-29(2)14-15-10-12-30-20(13-15)28-21(16-3-5-17(24)6-4-16)22(30)19-9-11-25-23(27-19)26-18-7-8-18/h3-6,9-13,18H,7-8,14H2,1-2H3,(H,25,26,27)
InChIKeyIAFVOWKKCMRQKD-UHFFFAOYSA-N
XLogP4.23
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24746216) is N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is IAFVOWKKCMRQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6/c1-29(2)14-15-10-12-30-20(13-15)28-21(16-3-5-17(24)6-4-16)22(30)19-9-11-25-23(27-19)26-18-7-8-18/h3-6,9-13,18H,7-8,14H2,1-2H3,(H,25,26,27).
What are the key properties of N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 402.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24746216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).