N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

C27H29FN6 — CID 10182804

IUPACN-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESFc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2cc(NC3CCCC3)ncn2)cc1
InChIInChI=1S/C27H29FN6/c28-19-14-12-18(13-15-19)27-26(22-16-24(30-17-29-22)31-20-6-1-2-7-20)23-10-5-11-25(34(23)33-27)32-21-8-3-4-9-21/h5,10-17,20-21,32H,1-4,6-9H2,(H,29,30,31)
InChIKeyIOCBVAIMEJTMSG-UHFFFAOYSA-N
MW456.57 g/mol
LogP6.31
Rot. Bonds6

About N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10182804) has the molecular formula C27H29FN6 and a molecular weight of 456.57 g/mol. Its IUPAC name is N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID10182804
Molecular FormulaC27H29FN6
Molecular Weight456.57 g/mol
Exact Mass456.24
IUPAC NameN-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESFc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2cc(NC3CCCC3)ncn2)cc1
InChIInChI=1S/C27H29FN6/c28-19-14-12-18(13-15-19)27-26(22-16-24(30-17-29-22)31-20-6-1-2-7-20)23-10-5-11-25(34(23)33-27)32-21-8-3-4-9-21/h5,10-17,20-21,32H,1-4,6-9H2,(H,29,30,31)
InChIKeyIOCBVAIMEJTMSG-UHFFFAOYSA-N
XLogP6.31
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (CID 10182804) is N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine is Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2cc(NC3CCCC3)ncn2)cc1.
What is the InChIKey of N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is IOCBVAIMEJTMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6/c28-19-14-12-18(13-15-19)27-26(22-16-24(30-17-29-22)31-20-6-1-2-7-20)23-10-5-11-25(34(23)33-27)32-21-8-3-4-9-21/h5,10-17,20-21,32H,1-4,6-9H2,(H,29,30,31).
What are the key properties of N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 456.57 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10182804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).