5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide

C22H24N6O2 — CID 126936613

IUPAC5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C22H24N6O2/c29-21-8-7-18(15-9-11-23-12-10-15)27-28(21)17-5-3-16(4-6-17)24-22(30)20-13-19(25-26-20)14-1-2-14/h7-14,16-17H,1-6H2,(H,24,30)(H,25,26)
InChIKeyJPXFHDKGSUFWEC-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.82
Rot. Bonds5

About 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide (PubChem CID 126936613) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
PubChem CID126936613
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C22H24N6O2/c29-21-8-7-18(15-9-11-23-12-10-15)27-28(21)17-5-3-16(4-6-17)24-22(30)20-13-19(25-26-20)14-1-2-14/h7-14,16-17H,1-6H2,(H,24,30)(H,25,26)
InChIKeyJPXFHDKGSUFWEC-UHFFFAOYSA-N
XLogP2.82
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126936608
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 126936529
2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929646
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 126936222
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
N-cyclopropyl-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 166264435
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126936220
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide (CID 126936613) is 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide is O=C(NC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide?
The InChIKey is JPXFHDKGSUFWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c29-21-8-7-18(15-9-11-23-12-10-15)27-28(21)17-5-3-16(4-6-17)24-22(30)20-13-19(25-26-20)14-1-2-14/h7-14,16-17H,1-6H2,(H,24,30)(H,25,26).
What are the key properties of 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126936613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).