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

C24H26N8O2 — CID 134450352

IUPACN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3cnccn3)n2)CC1
InChIInChI=1S/C24H26N8O2/c1-2-34-18-8-6-17(7-9-18)32-15-22(23(31-32)21-14-25-10-11-26-21)30-24(33)20-5-3-4-19(29-20)16-12-27-28-13-16/h3-5,10-15,17-18H,2,6-9H2,1H3,(H,27,28)(H,30,33)
InChIKeyBMJGQJUAZUKMQP-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.90
Rot. Bonds7

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

N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134450352) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134450352
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC NameN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3cnccn3)n2)CC1
InChIInChI=1S/C24H26N8O2/c1-2-34-18-8-6-17(7-9-18)32-15-22(23(31-32)21-14-25-10-11-26-21)30-24(33)20-5-3-4-19(29-20)16-12-27-28-13-16/h3-5,10-15,17-18H,2,6-9H2,1H3,(H,27,28)(H,30,33)
InChIKeyBMJGQJUAZUKMQP-UHFFFAOYSA-N
XLogP3.90
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134450352) is N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3cnccn3)n2)CC1.
What is the InChIKey of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is BMJGQJUAZUKMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-2-34-18-8-6-17(7-9-18)32-15-22(23(31-32)21-14-25-10-11-26-21)30-24(33)20-5-3-4-19(29-20)16-12-27-28-13-16/h3-5,10-15,17-18H,2,6-9H2,1H3,(H,27,28)(H,30,33).
What are the key properties of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134450352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).