N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

C20H22FN5O2 — CID 53146894

IUPACN-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1
InChIInChI=1S/C20H22FN5O2/c1-13-15(21)4-3-5-16(13)23-20(28)25-10-7-14(8-11-25)17-12-19(27)26-18(24(17)2)6-9-22-26/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,23,28)
InChIKeyGOXJBBMTQCJPSX-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.89
Rot. Bonds2

About N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 53146894) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID53146894
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC NameN-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1
InChIInChI=1S/C20H22FN5O2/c1-13-15(21)4-3-5-16(13)23-20(28)25-10-7-14(8-11-25)17-12-19(27)26-18(24(17)2)6-9-22-26/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,23,28)
InChIKeyGOXJBBMTQCJPSX-UHFFFAOYSA-N
XLogP2.89
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146867
4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 53146897
N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146887
N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136530919
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
N-[(1R)-1-(2,3-difluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 124603478
N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 136680740
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 121115073
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 91907884
(2R)-1-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922581
4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide
CID 56699954

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (CID 53146894) is N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is Cc1c(F)cccc1NC(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is GOXJBBMTQCJPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-13-15(21)4-3-5-16(13)23-20(28)25-10-7-14(8-11-25)17-12-19(27)26-18(24(17)2)6-9-22-26/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,23,28).
What are the key properties of N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
N-(3-fluoro-2-methylphenyl)-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 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53146894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).