methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate

C19H23ClN4O4 — CID 163295731

IUPACmethyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate
SMILESCOC(=O)C1CC(C)N(C(=O)c2cc(-c3cc(OC)ncc3Cl)n[nH]2)CC1C
InChIInChI=1S/C19H23ClN4O4/c1-10-9-24(11(2)5-12(10)19(26)28-4)18(25)16-7-15(22-23-16)13-6-17(27-3)21-8-14(13)20/h6-8,10-12H,5,9H2,1-4H3,(H,22,23)
InChIKeyFVOQTAKJAVCXDZ-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.79
Rot. Bonds4

About methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate

methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate (PubChem CID 163295731) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate
PubChem CID163295731
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC Namemethyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate
SMILESCOC(=O)C1CC(C)N(C(=O)c2cc(-c3cc(OC)ncc3Cl)n[nH]2)CC1C
InChIInChI=1S/C19H23ClN4O4/c1-10-9-24(11(2)5-12(10)19(26)28-4)18(25)16-7-15(22-23-16)13-6-17(27-3)21-8-14(13)20/h6-8,10-12H,5,9H2,1-4H3,(H,22,23)
InChIKeyFVOQTAKJAVCXDZ-UHFFFAOYSA-N
XLogP2.79
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate (CID 163295731) is methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate is COC(=O)C1CC(C)N(C(=O)c2cc(-c3cc(OC)ncc3Cl)n[nH]2)CC1C.
What is the InChIKey of methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate?
The InChIKey is FVOQTAKJAVCXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4/c1-10-9-24(11(2)5-12(10)19(26)28-4)18(25)16-7-15(22-23-16)13-6-17(27-3)21-8-14(13)20/h6-8,10-12H,5,9H2,1-4H3,(H,22,23).
What are the key properties of methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate?
methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate has a molecular weight of 406.87 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate is sourced from PubChem (CID 163295731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).