N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C19H21FN6 — CID 86898842

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESFc1cc(CNC2CCCN(c3cccnn3)C2)ccc1-n1ccnc1
InChIInChI=1S/C19H21FN6/c20-17-11-15(5-6-18(17)26-10-8-21-14-26)12-22-16-3-2-9-25(13-16)19-4-1-7-23-24-19/h1,4-8,10-11,14,16,22H,2-3,9,12-13H2
InChIKeyPNXPWNGSRPYNOR-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.56
Rot. Bonds5

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 86898842) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID86898842
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESFc1cc(CNC2CCCN(c3cccnn3)C2)ccc1-n1ccnc1
InChIInChI=1S/C19H21FN6/c20-17-11-15(5-6-18(17)26-10-8-21-14-26)12-22-16-3-2-9-25(13-16)19-4-1-7-23-24-19/h1,4-8,10-11,14,16,22H,2-3,9,12-13H2
InChIKeyPNXPWNGSRPYNOR-UHFFFAOYSA-N
XLogP2.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340
(3S)-1-pyridazin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 95323605
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133298860
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 86898842) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Fc1cc(CNC2CCCN(c3cccnn3)C2)ccc1-n1ccnc1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is PNXPWNGSRPYNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6/c20-17-11-15(5-6-18(17)26-10-8-21-14-26)12-22-16-3-2-9-25(13-16)19-4-1-7-23-24-19/h1,4-8,10-11,14,16,22H,2-3,9,12-13H2.
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 352.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 86898842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).