(3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide

C17H20ClN5O2 — CID 166428266

IUPAC(3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](C(=O)NCCc2cnc3c(Cl)cnn3c2)C1
InChIInChI=1S/C17H20ClN5O2/c1-2-15(24)22-7-3-4-13(11-22)17(25)19-6-5-12-8-20-16-14(18)9-21-23(16)10-12/h2,8-10,13H,1,3-7,11H2,(H,19,25)/t13-/m1/s1
InChIKeyTZZLTHSNMRFBEZ-CYBMUJFWSA-N
MW361.83 g/mol
LogP1.47
Rot. Bonds5

About (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide

(3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166428266) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166428266
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name(3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](C(=O)NCCc2cnc3c(Cl)cnn3c2)C1
InChIInChI=1S/C17H20ClN5O2/c1-2-15(24)22-7-3-4-13(11-22)17(25)19-6-5-12-8-20-16-14(18)9-21-23(16)10-12/h2,8-10,13H,1,3-7,11H2,(H,19,25)/t13-/m1/s1
InChIKeyTZZLTHSNMRFBEZ-CYBMUJFWSA-N
XLogP1.47
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide 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

1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122015826
N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-cyclopentylazetidine-1-carboxamide
CID 138019255
1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-3-carboxamide
CID 138491082
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 122096792
N'-(2-chloro-6-fluorobenzoyl)-1-prop-2-enoylpiperidine-3-carbohydrazide
CID 166413000
N-[4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411324
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide (CID 166428266) is (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCC[C@@H](C(=O)NCCc2cnc3c(Cl)cnn3c2)C1.
What is the InChIKey of (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is TZZLTHSNMRFBEZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-2-15(24)22-7-3-4-13(11-22)17(25)19-6-5-12-8-20-16-14(18)9-21-23(16)10-12/h2,8-10,13H,1,3-7,11H2,(H,19,25)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide?
(3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166428266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).