5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one

C22H32N6O2 — CID 129324133

IUPAC5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one
SMILESCC(C)N(C)c1cnn([C@H]2CCCN(C(=O)Cc3n[nH]c4c3CCCC4)C2)c(=O)c1
InChIInChI=1S/C22H32N6O2/c1-15(2)26(3)17-11-22(30)28(23-13-17)16-7-6-10-27(14-16)21(29)12-20-18-8-4-5-9-19(18)24-25-20/h11,13,15-16H,4-10,12,14H2,1-3H3,(H,24,25)/t16-/m0/s1
InChIKeyJDPAFSBLMVYHQV-INIZCTEOSA-N
MW412.54 g/mol
LogP2.10
Rot. Bonds5

About 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one

5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one (PubChem CID 129324133) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one
PubChem CID129324133
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one
SMILESCC(C)N(C)c1cnn([C@H]2CCCN(C(=O)Cc3n[nH]c4c3CCCC4)C2)c(=O)c1
InChIInChI=1S/C22H32N6O2/c1-15(2)26(3)17-11-22(30)28(23-13-17)16-7-6-10-27(14-16)21(29)12-20-18-8-4-5-9-19(18)24-25-20/h11,13,15-16H,4-10,12,14H2,1-3H3,(H,24,25)/t16-/m0/s1
InChIKeyJDPAFSBLMVYHQV-INIZCTEOSA-N
XLogP2.10
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-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 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one (CID 129324133) is 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one is CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)Cc3n[nH]c4c3CCCC4)C2)c(=O)c1.
What is the InChIKey of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The InChIKey is JDPAFSBLMVYHQV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-15(2)26(3)17-11-22(30)28(23-13-17)16-7-6-10-27(14-16)21(29)12-20-18-8-4-5-9-19(18)24-25-20/h11,13,15-16H,4-10,12,14H2,1-3H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one has a molecular weight of 412.54 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 129324133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).