3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one

C16H23N5O2 — CID 39794222

IUPAC3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)c1n[nH]c2c1CN(C(=O)CCC1=NNC(=O)CC1)CC2
InChIInChI=1S/C16H23N5O2/c1-10(2)16-12-9-21(8-7-13(12)18-20-16)15(23)6-4-11-3-5-14(22)19-17-11/h10H,3-9H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyCLWPSCSCJCGOPI-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.46
Rot. Bonds4

About 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 39794222) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID39794222
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)c1n[nH]c2c1CN(C(=O)CCC1=NNC(=O)CC1)CC2
InChIInChI=1S/C16H23N5O2/c1-10(2)16-12-9-21(8-7-13(12)18-20-16)15(23)6-4-11-3-5-14(22)19-17-11/h10H,3-9H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyCLWPSCSCJCGOPI-UHFFFAOYSA-N
XLogP1.46
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one (CID 39794222) is 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one is CC(C)c1n[nH]c2c1CN(C(=O)CCC1=NNC(=O)CC1)CC2.
What is the InChIKey of 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CLWPSCSCJCGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(2)16-12-9-21(8-7-13(12)18-20-16)15(23)6-4-11-3-5-14(22)19-17-11/h10H,3-9H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 317.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 39794222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).