(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine

C20H24N6 — CID 95339381

IUPAC(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](NCc3cn[nH]c3-c3ccccc3)C2)nn1
InChIInChI=1S/C20H24N6/c1-15-9-10-19(24-23-15)26-11-5-8-18(14-26)21-12-17-13-22-25-20(17)16-6-3-2-4-7-16/h2-4,6-7,9-10,13,18,21H,5,8,11-12,14H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyFSHSWEQTPOYLBQ-SFHVURJKSA-N
MW348.45 g/mol
LogP2.93
Rot. Bonds5

About (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine

(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 95339381) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID95339381
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](NCc3cn[nH]c3-c3ccccc3)C2)nn1
InChIInChI=1S/C20H24N6/c1-15-9-10-19(24-23-15)26-11-5-8-18(14-26)21-12-17-13-22-25-20(17)16-6-3-2-4-7-16/h2-4,6-7,9-10,13,18,21H,5,8,11-12,14H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyFSHSWEQTPOYLBQ-SFHVURJKSA-N
XLogP2.93
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine 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

(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95610632
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95340378
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64655726
4-fluoro-3-[[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]methyl]benzonitrile
CID 97186348
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115671480
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine (CID 95339381) is (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine is Cc1ccc(N2CCC[C@H](NCc3cn[nH]c3-c3ccccc3)C2)nn1.
What is the InChIKey of (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is FSHSWEQTPOYLBQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-9-10-19(24-23-15)26-11-5-8-18(14-26)21-12-17-13-22-25-20(17)16-6-3-2-4-7-16/h2-4,6-7,9-10,13,18,21H,5,8,11-12,14H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine?
(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 95339381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).