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

C22H22N8O2 — CID 134477697

IUPACN-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(C2CCC(O)CC2)nc1-c1cnccn1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C22H22N8O2/c31-16-6-4-15(5-7-16)30-13-20(21(29-30)19-12-23-8-9-24-19)28-22(32)18-3-1-2-17(27-18)14-10-25-26-11-14/h1-3,8-13,15-16,31H,4-7H2,(H,25,26)(H,28,32)
InChIKeyLVVHRBFUQJILMT-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.85
Rot. Bonds5

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

N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134477697) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134477697
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC NameN-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(C2CCC(O)CC2)nc1-c1cnccn1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C22H22N8O2/c31-16-6-4-15(5-7-16)30-13-20(21(29-30)19-12-23-8-9-24-19)28-22(32)18-3-1-2-17(27-18)14-10-25-26-11-14/h1-3,8-13,15-16,31H,4-7H2,(H,25,26)(H,28,32)
InChIKeyLVVHRBFUQJILMT-UHFFFAOYSA-N
XLogP2.85
TPSA134.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134477697) is N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cn(C2CCC(O)CC2)nc1-c1cnccn1)c1cccc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is LVVHRBFUQJILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c31-16-6-4-15(5-7-16)30-13-20(21(29-30)19-12-23-8-9-24-19)28-22(32)18-3-1-2-17(27-18)14-10-25-26-11-14/h1-3,8-13,15-16,31H,4-7H2,(H,25,26)(H,28,32).
What are the key properties of N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134477697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).