N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide

C24H22FN5O2 — CID 134326961

IUPACN-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C(=O)NC4CCCC4)cc3)c2n1
InChIInChI=1S/C24H22FN5O2/c1-32-19-8-4-7-17(25)20(19)23-26-13-18-22(28-23)21(30-29-18)14-9-11-15(12-10-14)24(31)27-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,27,31)(H,29,30)
InChIKeyGLWXIDDPNDISSA-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.51
Rot. Bonds5

About N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide

N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide (PubChem CID 134326961) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide
PubChem CID134326961
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC NameN-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C(=O)NC4CCCC4)cc3)c2n1
InChIInChI=1S/C24H22FN5O2/c1-32-19-8-4-7-17(25)20(19)23-26-13-18-22(28-23)21(30-29-18)14-9-11-15(12-10-14)24(31)27-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,27,31)(H,29,30)
InChIKeyGLWXIDDPNDISSA-UHFFFAOYSA-N
XLogP4.51
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide (CID 134326961) is N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C(=O)NC4CCCC4)cc3)c2n1.
What is the InChIKey of N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide?
The InChIKey is GLWXIDDPNDISSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-32-19-8-4-7-17(25)20(19)23-26-13-18-22(28-23)21(30-29-18)14-9-11-15(12-10-14)24(31)27-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide?
N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide has a molecular weight of 431.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 134326961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).