3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine

C25H25FN6 — CID 10180985

IUPAC3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
SMILESFc1ccc(-c2nc3c(NC4CC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C25H25FN6/c26-17-9-7-16(8-10-17)22-23(20-13-14-27-25(30-20)29-18-4-1-2-5-18)32-15-3-6-21(24(32)31-22)28-19-11-12-19/h3,6-10,13-15,18-19,28H,1-2,4-5,11-12H2,(H,27,29,30)
InChIKeyLSTRFFKQHUBMHU-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.53
Rot. Bonds6

About 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine

3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 10180985) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID10180985
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
SMILESFc1ccc(-c2nc3c(NC4CC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C25H25FN6/c26-17-9-7-16(8-10-17)22-23(20-13-14-27-25(30-20)29-18-4-1-2-5-18)32-15-3-6-21(24(32)31-22)28-19-11-12-19/h3,6-10,13-15,18-19,28H,1-2,4-5,11-12H2,(H,27,29,30)
InChIKeyLSTRFFKQHUBMHU-UHFFFAOYSA-N
XLogP5.53
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine (CID 10180985) is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine is Fc1ccc(-c2nc3c(NC4CC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is LSTRFFKQHUBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c26-17-9-7-16(8-10-17)22-23(20-13-14-27-25(30-20)29-18-4-1-2-5-18)32-15-3-6-21(24(32)31-22)28-19-11-12-19/h3,6-10,13-15,18-19,28H,1-2,4-5,11-12H2,(H,27,29,30).
What are the key properties of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 428.52 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 10180985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).