N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide

N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide (PubChem CID 160971958) has the molecular formula C74H74F3N19O8 and a molecular weight of 1414.52 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
PubChem CID	160971958
Molecular Formula	C74H74F3N19O8
Molecular Weight	1414.52 g/mol
Exact Mass	1413.59
IUPAC Name	N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
SMILES	CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncc(F)cc3F)n2)CC1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3F)n2)c(-c2ccccn2)n1
InChI	InChI=1S/C25H25F2N7O2.C25H26N6O3.C24H23FN6O3/c1-2-36-18-8-6-17(7-9-18)34-14-22(24(33-34)23-19(27)10-16(26)13-28-23)32-25(35)21-5-3-4-20(31-21)15-11-29-30-12-15;1-18-16-26-11-9-19(18)20-7-5-8-22(28-20)25(32)29-23-17-31(12-13-34-15-14-33-2)30-24(23)21-6-3-4-10-27-21;1-33-13-14-34-12-11-31-16-22(23(30-31)20-5-2-3-9-27-20)29-24(32)21-7-4-6-19(28-21)17-8-10-26-15-18(17)25/h3-5,10-14,17-18H,2,6-9H2,1H3,(H,29,30)(H,32,35);3-11,16-17H,12-15H2,1-2H3,(H,29,32);2-10,15-16H,11-14H2,1H3,(H,29,32)
InChIKey	SYJLPCNMVVSJSQ-UHFFFAOYSA-N
XLogP	11.86
TPSA	318.71 Å²
H-Bond Donors	4
H-Bond Acceptors	23
Rotatable Bonds	27
Heavy Atoms	104
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1414.52
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?

The IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide (CID 160971958) is N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?

The canonical SMILES for N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide is CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncc(F)cc3F)n2)CC1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3F)n2)c(-c2ccccn2)n1.

What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?

The InChIKey is SYJLPCNMVVSJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2.C25H26N6O3.C24H23FN6O3/c1-2-36-18-8-6-17(7-9-18)34-14-22(24(33-34)23-19(27)10-16(26)13-28-23)32-25(35)21-5-3-4-20(31-21)15-11-29-30-12-15;1-18-16-26-11-9-19(18)20-7-5-8-22(28-20)25(32)29-23-17-31(12-13-34-15-14-33-2)30-24(23)21-6-3-4-10-27-21;1-33-13-14-34-12-11-31-16-22(23(30-31)20-5-2-3-9-27-20)29-24(32)21-7-4-6-19(28-21)17-8-10-26-15-18(17)25/h3-5,10-14,17-18H,2,6-9H2,1H3,(H,29,30)(H,32,35);3-11,16-17H,12-15H2,1-2H3,(H,29,32);2-10,15-16H,11-14H2,1H3,(H,29,32).

What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?

Where does this data come from?

All data for N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 160971958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).