N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

C19H19ClFN5O2 — CID 53146866

IUPACN-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(=O)n2nccc12
InChIInChI=1S/C19H19ClFN5O2/c1-24-16(11-18(27)26-17(24)4-7-22-26)12-5-8-25(9-6-12)19(28)23-13-2-3-15(21)14(20)10-13/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,23,28)
InChIKeyGBBZSBOFHCHFRO-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.24
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 53146866) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID53146866
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(=O)n2nccc12
InChIInChI=1S/C19H19ClFN5O2/c1-24-16(11-18(27)26-17(24)4-7-22-26)12-5-8-25(9-6-12)19(28)23-13-2-3-15(21)14(20)10-13/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,23,28)
InChIKeyGBBZSBOFHCHFRO-UHFFFAOYSA-N
XLogP3.24
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (CID 53146866) is N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is Cn1c(C2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(=O)n2nccc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is GBBZSBOFHCHFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-24-16(11-18(27)26-17(24)4-7-22-26)12-5-8-25(9-6-12)19(28)23-13-2-3-15(21)14(20)10-13/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,23,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 403.85 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53146866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).