N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

C28H30FN5 — CID 10115190

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESFc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)c2)cc1
InChIInChI=1S/C28H30FN5/c29-21-14-12-19(13-15-21)28-27(20-16-17-30-25(18-20)31-22-6-1-2-7-22)24-10-5-11-26(34(24)33-28)32-23-8-3-4-9-23/h5,10-18,22-23,32H,1-4,6-9H2,(H,30,31)
InChIKeyZGQFMRKGMPUTDW-UHFFFAOYSA-N
MW455.58 g/mol
LogP6.91
Rot. Bonds6

About N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10115190) has the molecular formula C28H30FN5 and a molecular weight of 455.58 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID10115190
Molecular FormulaC28H30FN5
Molecular Weight455.58 g/mol
Exact Mass455.25
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESFc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)c2)cc1
InChIInChI=1S/C28H30FN5/c29-21-14-12-19(13-15-21)28-27(20-16-17-30-25(18-20)31-22-6-1-2-7-22)24-10-5-11-26(34(24)33-28)32-23-8-3-4-9-23/h5,10-18,22-23,32H,1-4,6-9H2,(H,30,31)
InChIKeyZGQFMRKGMPUTDW-UHFFFAOYSA-N
XLogP6.91
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (CID 10115190) is N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine is Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)c2)cc1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is ZGQFMRKGMPUTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5/c29-21-14-12-19(13-15-21)28-27(20-16-17-30-25(18-20)31-22-6-1-2-7-22)24-10-5-11-26(34(24)33-28)32-23-8-3-4-9-23/h5,10-18,22-23,32H,1-4,6-9H2,(H,30,31).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 455.58 g/mol, XLogP of 6.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10115190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).