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

C23H32ClN5O4 — CID 175578148

IUPAC1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide
SMILESCCCC(C)(CNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3Cl)n[nH]2)CC1)OC
InChIInChI=1S/C23H32ClN5O4/c1-5-8-23(2,33-4)14-26-21(30)15-6-9-29(10-7-15)22(31)19-12-18(27-28-19)16-11-20(32-3)25-13-17(16)24/h11-13,15H,5-10,14H2,1-4H3,(H,26,30)(H,27,28)
InChIKeyKBWFNQVHBMQSGR-UHFFFAOYSA-N
MW477.99 g/mol
LogP3.31
Rot. Bonds9

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

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide (PubChem CID 175578148) has the molecular formula C23H32ClN5O4 and a molecular weight of 477.99 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide
PubChem CID175578148
Molecular FormulaC23H32ClN5O4
Molecular Weight477.99 g/mol
Exact Mass477.21
IUPAC Name1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide
SMILESCCCC(C)(CNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3Cl)n[nH]2)CC1)OC
InChIInChI=1S/C23H32ClN5O4/c1-5-8-23(2,33-4)14-26-21(30)15-6-9-29(10-7-15)22(31)19-12-18(27-28-19)16-11-20(32-3)25-13-17(16)24/h11-13,15H,5-10,14H2,1-4H3,(H,26,30)(H,27,28)
InChIKeyKBWFNQVHBMQSGR-UHFFFAOYSA-N
XLogP3.31
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide
CID 163294872
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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide
CID 163295979
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-[(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-(isoquinolin-6-ylmethyl)piperidine-4-carboxamide
CID 163296059
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 163295488
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-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 163295231
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-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide
CID 163295865

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide (CID 175578148) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide is CCCC(C)(CNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3Cl)n[nH]2)CC1)OC.
What is the InChIKey of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide?
The InChIKey is KBWFNQVHBMQSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O4/c1-5-8-23(2,33-4)14-26-21(30)15-6-9-29(10-7-15)22(31)19-12-18(27-28-19)16-11-20(32-3)25-13-17(16)24/h11-13,15H,5-10,14H2,1-4H3,(H,26,30)(H,27,28).
What are the key properties of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide?
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide has a molecular weight of 477.99 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 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-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide is sourced from PubChem (CID 175578148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).