N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide

C20H28N6O — CID 44591769

IUPACN-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)CC1
InChIInChI=1S/C20H28N6O/c1-13(27)23-16-8-6-14(7-9-16)19-17(12-22-26-19)18-10-11-21-20(25-18)24-15-4-2-3-5-15/h10-12,14-16H,2-9H2,1H3,(H,22,26)(H,23,27)(H,21,24,25)
InChIKeyPRFQGCBPEYPZAY-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.38
Rot. Bonds5

About N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide

N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide (PubChem CID 44591769) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide
PubChem CID44591769
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)CC1
InChIInChI=1S/C20H28N6O/c1-13(27)23-16-8-6-14(7-9-16)19-17(12-22-26-19)18-10-11-21-20(25-18)24-15-4-2-3-5-15/h10-12,14-16H,2-9H2,1H3,(H,22,26)(H,23,27)(H,21,24,25)
InChIKeyPRFQGCBPEYPZAY-UHFFFAOYSA-N
XLogP3.38
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide (CID 44591769) is N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide is CC(=O)NC1CCC(c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)CC1.
What is the InChIKey of N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide?
The InChIKey is PRFQGCBPEYPZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-13(27)23-16-8-6-14(7-9-16)19-17(12-22-26-19)18-10-11-21-20(25-18)24-15-4-2-3-5-15/h10-12,14-16H,2-9H2,1H3,(H,22,26)(H,23,27)(H,21,24,25).
What are the key properties of N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide?
N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide has a molecular weight of 368.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]acetamide is sourced from PubChem (CID 44591769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).