5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide

C22H30N6O3 — CID 126931311

IUPAC5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C22H30N6O3/c29-19-6-3-5-18(19)28-21(30)10-9-20(26-28)27-11-2-1-4-15(27)13-23-22(31)17-12-16(24-25-17)14-7-8-14/h9-10,12,14-15,18-19,29H,1-8,11,13H2,(H,23,31)(H,24,25)
InChIKeyVIGIXCQYINYYQM-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.72
Rot. Bonds6

About 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 126931311) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID126931311
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC Name5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C22H30N6O3/c29-19-6-3-5-18(19)28-21(30)10-9-20(26-28)27-11-2-1-4-15(27)13-23-22(31)17-12-16(24-25-17)14-7-8-14/h9-10,12,14-15,18-19,29H,1-8,11,13H2,(H,23,31)(H,24,25)
InChIKeyVIGIXCQYINYYQM-UHFFFAOYSA-N
XLogP1.72
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931297
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 126931306
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126931269
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126931292
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126931271
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931513
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrimidine-2-carboxamide
CID 126931295
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 126931313
6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
CID 126931360
6-[2-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931566
2-(2-hydroxycyclopentyl)-6-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931356

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide (CID 126931311) is 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide is O=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VIGIXCQYINYYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3/c29-19-6-3-5-18(19)28-21(30)10-9-20(26-28)27-11-2-1-4-15(27)13-23-22(31)17-12-16(24-25-17)14-7-8-14/h9-10,12,14-15,18-19,29H,1-8,11,13H2,(H,23,31)(H,24,25).
What are the key properties of 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126931311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).