N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide

C27H29N7O2 — CID 134450353

IUPACN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3cnccn3)n2)CC1
InChIInChI=1S/C27H29N7O2/c1-3-36-21-9-7-20(8-10-21)34-17-25(26(33-34)24-16-28-11-12-30-24)32-27(35)23-6-4-5-22(31-23)19-13-18(2)14-29-15-19/h4-6,11-17,20-21H,3,7-10H2,1-2H3,(H,32,35)
InChIKeyQPUYPMINNHIQRV-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.88
Rot. Bonds7

About N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide

N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 134450353) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID134450353
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC NameN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3cnccn3)n2)CC1
InChIInChI=1S/C27H29N7O2/c1-3-36-21-9-7-20(8-10-21)34-17-25(26(33-34)24-16-28-11-12-30-24)32-27(35)23-6-4-5-22(31-23)19-13-18(2)14-29-15-19/h4-6,11-17,20-21H,3,7-10H2,1-2H3,(H,32,35)
InChIKeyQPUYPMINNHIQRV-UHFFFAOYSA-N
XLogP4.88
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.88
H-Bond Donors ≤ 51
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-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 134450353) is N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide is CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3cnccn3)n2)CC1.
What is the InChIKey of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is QPUYPMINNHIQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-3-36-21-9-7-20(8-10-21)34-17-25(26(33-34)24-16-28-11-12-30-24)32-27(35)23-6-4-5-22(31-23)19-13-18(2)14-29-15-19/h4-6,11-17,20-21H,3,7-10H2,1-2H3,(H,32,35).
What are the key properties of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 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-(5-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 134450353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).