N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

C20H22FN5O2 — CID 53146887

IUPACN-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc(=O)n2nccc12
InChIInChI=1S/C20H22FN5O2/c1-24-17(12-19(27)26-18(24)6-9-23-26)15-7-10-25(11-8-15)20(28)22-13-14-2-4-16(21)5-3-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,28)
InChIKeyYZQIWHCTKZJDCA-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.26
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 53146887) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID53146887
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc(=O)n2nccc12
InChIInChI=1S/C20H22FN5O2/c1-24-17(12-19(27)26-18(24)6-9-23-26)15-7-10-25(11-8-15)20(28)22-13-14-2-4-16(21)5-3-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,28)
InChIKeyYZQIWHCTKZJDCA-UHFFFAOYSA-N
XLogP2.26
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146894
N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146867
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837
N-[(4-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905648
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 95110299
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419
N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 146132619
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113106114
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (CID 53146887) is N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is Cn1c(C2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc(=O)n2nccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is YZQIWHCTKZJDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-24-17(12-19(27)26-18(24)6-9-23-26)15-7-10-25(11-8-15)20(28)22-13-14-2-4-16(21)5-3-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53146887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).