N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H22FN5O — CID 95713609

IUPACN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cnc2ccnn12
InChIInChI=1S/C20H22FN5O/c1-14-17(11-22-19-8-9-23-26(14)19)20(27)24-16-6-4-10-25(13-16)12-15-5-2-3-7-18(15)21/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeySHIWRENZHPOPBM-INIZCTEOSA-N
MW367.43 g/mol
LogP2.57
Rot. Bonds4

About N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 95713609) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID95713609
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cnc2ccnn12
InChIInChI=1S/C20H22FN5O/c1-14-17(11-22-19-8-9-23-26(14)19)20(27)24-16-6-4-10-25(13-16)12-15-5-2-3-7-18(15)21/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeySHIWRENZHPOPBM-INIZCTEOSA-N
XLogP2.57
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-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

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45219277
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclopentene-1-carboxamide
CID 45185934
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56712984
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
CID 42310633
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
CID 56912606
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 42307959
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 131921487
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
CID 95711358
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42594612

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 95713609) is N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cnc2ccnn12.
What is the InChIKey of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SHIWRENZHPOPBM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-17(11-22-19-8-9-23-26(14)19)20(27)24-16-6-4-10-25(13-16)12-15-5-2-3-7-18(15)21/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 95713609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).