formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide

C21H29N7O4 — CID 171339622

IUPACformic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide
SMILESO=C(Cn1cccn1)NC1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1.O=CO
InChIInChI=1S/C20H27N7O2.CH2O2/c28-18(15-27-10-2-9-23-27)24-17-5-3-16(4-6-17)19(29)25-11-13-26(14-12-25)20-21-7-1-8-22-20;2-1-3/h1-2,7-10,16-17H,3-6,11-15H2,(H,24,28);1H,(H,2,3)
InChIKeyPSJKCUVDWNQKLH-UHFFFAOYSA-N
MW443.51 g/mol
LogP0.40
Rot. Bonds5

About formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide

formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide (PubChem CID 171339622) has the molecular formula C21H29N7O4 and a molecular weight of 443.51 g/mol. Its IUPAC name is formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide.

Molecular Properties

Compound Nameformic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide
PubChem CID171339622
Molecular FormulaC21H29N7O4
Molecular Weight443.51 g/mol
Exact Mass443.23
IUPAC Nameformic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide
SMILESO=C(Cn1cccn1)NC1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1.O=CO
InChIInChI=1S/C20H27N7O2.CH2O2/c28-18(15-27-10-2-9-23-27)24-17-5-3-16(4-6-17)19(29)25-11-13-26(14-12-25)20-21-7-1-8-22-20;2-1-3/h1-2,7-10,16-17H,3-6,11-15H2,(H,24,28);1H,(H,2,3)
InChIKeyPSJKCUVDWNQKLH-UHFFFAOYSA-N
XLogP0.40
TPSA133.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)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

Related Compounds

N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide
CID 113384212
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
CID 84578569
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
N-cyclopropyl-4-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]butanamide
CID 111205704
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide
CID 46987810

Frequently Asked Questions

What is the IUPAC name of formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide?
The IUPAC name of formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide (CID 171339622) is formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide.
What is the SMILES notation for formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide?
The canonical SMILES for formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide is O=C(Cn1cccn1)NC1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1.O=CO.
What is the InChIKey of formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide?
The InChIKey is PSJKCUVDWNQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2.CH2O2/c28-18(15-27-10-2-9-23-27)24-17-5-3-16(4-6-17)19(29)25-11-13-26(14-12-25)20-21-7-1-8-22-20;2-1-3/h1-2,7-10,16-17H,3-6,11-15H2,(H,24,28);1H,(H,2,3).
What are the key properties of formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide?
formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-pyrazol-1-yl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]acetamide is sourced from PubChem (CID 171339622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).