N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

About N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146482996) has the molecular formula C29H36FN7O3 and a molecular weight of 549.65 g/mol. Its IUPAC name is N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	146482996
Molecular Formula	C29H36FN7O3
Molecular Weight	549.65 g/mol
Exact Mass	549.29
IUPAC Name	N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	CC(C)(O)C(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(C4CCCC4)CC3)cc2C1=O
InChI	InChI=1S/C29H36FN7O3/c1-29(2,40)25(30)18-36-17-19-14-23(33-27(38)22-16-32-37-9-5-8-31-26(22)37)24(15-21(19)28(36)39)35-12-10-34(11-13-35)20-6-3-4-7-20/h5,8-9,14-16,20,25,40H,3-4,6-7,10-13,17-18H2,1-2H3,(H,33,38)
InChIKey	UFMHWGFRCLUQIJ-UHFFFAOYSA-N
XLogP	3.11
TPSA	106.31 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.65
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146482996) is N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)C(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(C4CCCC4)CC3)cc2C1=O.

What is the InChIKey of N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UFMHWGFRCLUQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN7O3/c1-29(2,40)25(30)18-36-17-19-14-23(33-27(38)22-16-32-37-9-5-8-31-26(22)37)24(15-21(19)28(36)39)35-12-10-34(11-13-35)20-6-3-4-7-20/h5,8-9,14-16,20,25,40H,3-4,6-7,10-13,17-18H2,1-2H3,(H,33,38).

What are the key properties of N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 549.65 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-cyclopentylpiperazin-1-yl)-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146482996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).