N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C23H24FN5 — CID 58824364

IUPACN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H24FN5/c1-15-10-12-29-19(13-15)28-20(16-5-7-17(24)8-6-16)21(29)18-9-11-25-22(27-18)26-14-23(2,3)4/h5-13H,14H2,1-4H3,(H,25,26,27)
InChIKeyKMWAWMIIUWZAEL-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.36
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 58824364) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID58824364
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC NameN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H24FN5/c1-15-10-12-29-19(13-15)28-20(16-5-7-17(24)8-6-16)21(29)18-9-11-25-22(27-18)26-14-23(2,3)4/h5-13H,14H2,1-4H3,(H,25,26,27)
InChIKeyKMWAWMIIUWZAEL-UHFFFAOYSA-N
XLogP5.36
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 58824364) is N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is KMWAWMIIUWZAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-15-10-12-29-19(13-15)28-20(16-5-7-17(24)8-6-16)21(29)18-9-11-25-22(27-18)26-14-23(2,3)4/h5-13H,14H2,1-4H3,(H,25,26,27).
What are the key properties of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 389.48 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 58824364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).