(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

C20H24N6 — CID 95338340

IUPAC(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@@H](NCc3ccc(-n4ccnc4)cc3)C2)nn1
InChIInChI=1S/C20H24N6/c1-16-4-9-20(24-23-16)25-11-2-3-18(14-25)22-13-17-5-7-19(8-6-17)26-12-10-21-15-26/h4-10,12,15,18,22H,2-3,11,13-14H2,1H3/t18-/m1/s1
InChIKeyKUFGFROSZRYLKQ-GOSISDBHSA-N
MW348.45 g/mol
LogP2.73
Rot. Bonds5

About (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine (PubChem CID 95338340) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
PubChem CID95338340
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@@H](NCc3ccc(-n4ccnc4)cc3)C2)nn1
InChIInChI=1S/C20H24N6/c1-16-4-9-20(24-23-16)25-11-2-3-18(14-25)22-13-17-5-7-19(8-6-17)26-12-10-21-15-26/h4-10,12,15,18,22H,2-3,11,13-14H2,1H3/t18-/m1/s1
InChIKeyKUFGFROSZRYLKQ-GOSISDBHSA-N
XLogP2.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine with MolForge

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Related Compounds

(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 86898842
(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95340378
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 95347521
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 62318506
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 167779685
(3S)-1-pyridazin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 95323605
N-[(4-imidazol-1-ylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222635
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587926
N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51086166

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The IUPAC name of (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine (CID 95338340) is (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The canonical SMILES for (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine is Cc1ccc(N2CCC[C@@H](NCc3ccc(-n4ccnc4)cc3)C2)nn1.
What is the InChIKey of (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The InChIKey is KUFGFROSZRYLKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N6/c1-16-4-9-20(24-23-16)25-11-2-3-18(14-25)22-13-17-5-7-19(8-6-17)26-12-10-21-15-26/h4-10,12,15,18,22H,2-3,11,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine is sourced from PubChem (CID 95338340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).