N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid

C20H30N6O2 — CID 118747416

IUPACN-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid
SMILESO=CO.c1ncc(CN2CCCC(Cc3ccc(NC4CCCC4)nn3)C2)[nH]1
InChIInChI=1S/C19H28N6.CH2O2/c1-2-6-16(5-1)22-19-8-7-17(23-24-19)10-15-4-3-9-25(12-15)13-18-11-20-14-21-18;2-1-3/h7-8,11,14-16H,1-6,9-10,12-13H2,(H,20,21)(H,22,24);1H,(H,2,3)
InChIKeyGMGQJHGHYNDYQS-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.71
Rot. Bonds6

About N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid

N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid (PubChem CID 118747416) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid.

Molecular Properties

Compound NameN-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid
PubChem CID118747416
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid
SMILESO=CO.c1ncc(CN2CCCC(Cc3ccc(NC4CCCC4)nn3)C2)[nH]1
InChIInChI=1S/C19H28N6.CH2O2/c1-2-6-16(5-1)22-19-8-7-17(23-24-19)10-15-4-3-9-25(12-15)13-18-11-20-14-21-18;2-1-3/h7-8,11,14-16H,1-6,9-10,12-13H2,(H,20,21)(H,22,24);1H,(H,2,3)
InChIKeyGMGQJHGHYNDYQS-UHFFFAOYSA-N
XLogP2.71
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine
CID 110257798
(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide
CID 129398362
4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124974631
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124980427
(3S)-3-(imidazol-1-ylmethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 99962032
2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide
CID 110271600
(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine
CID 30726777
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154898440
3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 45249520
3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 45188344

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid?
The IUPAC name of N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid (CID 118747416) is N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid.
What is the SMILES notation for N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid?
The canonical SMILES for N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid is O=CO.c1ncc(CN2CCCC(Cc3ccc(NC4CCCC4)nn3)C2)[nH]1.
What is the InChIKey of N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid?
The InChIKey is GMGQJHGHYNDYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6.CH2O2/c1-2-6-16(5-1)22-19-8-7-17(23-24-19)10-15-4-3-9-25(12-15)13-18-11-20-14-21-18;2-1-3/h7-8,11,14-16H,1-6,9-10,12-13H2,(H,20,21)(H,22,24);1H,(H,2,3).
What are the key properties of N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid?
N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid has a molecular weight of 386.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid is sourced from PubChem (CID 118747416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).