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

C20H22ClN5O5 — CID 169094997

IUPAC1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NCC4OC=CO4)CC3)[nH]n2)c(Cl)cn1
InChIInChI=1S/C20H22ClN5O5/c1-29-17-8-13(14(21)10-22-17)15-9-16(25-24-15)20(28)26-4-2-12(3-5-26)19(27)23-11-18-30-6-7-31-18/h6-10,12,18H,2-5,11H2,1H3,(H,23,27)(H,24,25)
InChIKeyZSXPNKUTUNYWNV-UHFFFAOYSA-N
MW447.88 g/mol
LogP1.95
Rot. Bonds6

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

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 169094997) has the molecular formula C20H22ClN5O5 and a molecular weight of 447.88 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID169094997
Molecular FormulaC20H22ClN5O5
Molecular Weight447.88 g/mol
Exact Mass447.13
IUPAC Name1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NCC4OC=CO4)CC3)[nH]n2)c(Cl)cn1
InChIInChI=1S/C20H22ClN5O5/c1-29-17-8-13(14(21)10-22-17)15-9-16(25-24-15)20(28)26-4-2-12(3-5-26)19(27)23-11-18-30-6-7-31-18/h6-10,12,18H,2-5,11H2,1H3,(H,23,27)(H,24,25)
InChIKeyZSXPNKUTUNYWNV-UHFFFAOYSA-N
XLogP1.95
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 163294837
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-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide
CID 175578148
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-(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-(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-[(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-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide
CID 167375416

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide (CID 169094997) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCC4OC=CO4)CC3)[nH]n2)c(Cl)cn1.
What is the InChIKey of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZSXPNKUTUNYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O5/c1-29-17-8-13(14(21)10-22-17)15-9-16(25-24-15)20(28)26-4-2-12(3-5-26)19(27)23-11-18-30-6-7-31-18/h6-10,12,18H,2-5,11H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide?
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 447.88 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 169094997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).