1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide

C20H23ClN6O4 — CID 163295488

IUPAC1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CNC(=O)C4)CC3)[nH]n2)c(Cl)cn1
InChIInChI=1S/C20H23ClN6O4/c1-31-18-7-13(14(21)10-23-18)15-8-16(26-25-15)20(30)27-4-2-11(3-5-27)19(29)24-12-6-17(28)22-9-12/h7-8,10-12H,2-6,9H2,1H3,(H,22,28)(H,24,29)(H,25,26)
InChIKeyNOPPTXGKWUADLX-UHFFFAOYSA-N
MW446.90 g/mol
LogP0.99
Rot. Bonds5

About 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide (PubChem CID 163295488) has the molecular formula C20H23ClN6O4 and a molecular weight of 446.90 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
PubChem CID163295488
Molecular FormulaC20H23ClN6O4
Molecular Weight446.90 g/mol
Exact Mass446.15
IUPAC Name1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CNC(=O)C4)CC3)[nH]n2)c(Cl)cn1
InChIInChI=1S/C20H23ClN6O4/c1-31-18-7-13(14(21)10-23-18)15-8-16(26-25-15)20(30)27-4-2-11(3-5-27)19(29)24-12-6-17(28)22-9-12/h7-8,10-12H,2-6,9H2,1H3,(H,22,28)(H,24,29)(H,25,26)
InChIKeyNOPPTXGKWUADLX-UHFFFAOYSA-N
XLogP0.99
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 163294837
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide
CID 169094997
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide
CID 163295865
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(4,4-difluoro-5-oxopyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 163295601
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide
CID 163295884
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(3,4-dihydro-1H-isochromen-4-yl)piperidine-4-carboxamide
CID 163295849
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide
CID 175578148
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide
CID 163294872
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxamide
CID 163295674
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(isoquinolin-6-ylmethyl)piperidine-4-carboxamide
CID 163296059
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide
CID 163295979
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 163295231

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide (CID 163295488) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CNC(=O)C4)CC3)[nH]n2)c(Cl)cn1.
What is the InChIKey of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The InChIKey is NOPPTXGKWUADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O4/c1-31-18-7-13(14(21)10-23-18)15-8-16(26-25-15)20(30)27-4-2-11(3-5-27)19(29)24-12-6-17(28)22-9-12/h7-8,10-12H,2-6,9H2,1H3,(H,22,28)(H,24,29)(H,25,26).
What are the key properties of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide has a molecular weight of 446.90 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 163295488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).