N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C25H26FN7O2 — CID 134477649

IUPACN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncccc3F)n2)CC1
InChIInChI=1S/C25H26FN7O2/c1-2-35-18-10-8-17(9-11-18)33-15-22(24(32-33)23-19(26)5-4-12-27-23)31-25(34)21-7-3-6-20(30-21)16-13-28-29-14-16/h3-7,12-15,17-18H,2,8-11H2,1H3,(H,28,29)(H,31,34)
InChIKeyPJUDBPZZZQKQFA-UHFFFAOYSA-N
MW475.53 g/mol
LogP4.64
Rot. Bonds7

About N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134477649) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134477649
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC NameN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncccc3F)n2)CC1
InChIInChI=1S/C25H26FN7O2/c1-2-35-18-10-8-17(9-11-18)33-15-22(24(32-33)23-19(26)5-4-12-27-23)31-25(34)21-7-3-6-20(30-21)16-13-28-29-14-16/h3-7,12-15,17-18H,2,8-11H2,1H3,(H,28,29)(H,31,34)
InChIKeyPJUDBPZZZQKQFA-UHFFFAOYSA-N
XLogP4.64
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134477649) is N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncccc3F)n2)CC1.
What is the InChIKey of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is PJUDBPZZZQKQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-2-35-18-10-8-17(9-11-18)33-15-22(24(32-33)23-19(26)5-4-12-27-23)31-25(34)21-7-3-6-20(30-21)16-13-28-29-14-16/h3-7,12-15,17-18H,2,8-11H2,1H3,(H,28,29)(H,31,34).
What are the key properties of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134477649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).