(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

C19H22N4O — CID 97469671

IUPAC(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(N2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)nn1
InChIInChI=1S/C19H22N4O/c1-14-7-8-17(22-21-14)23-11-9-19(10-12-23)16(13-18(24)20-19)15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyZRXDJSOTJCYDPA-MRXNPFEDSA-N
MW322.41 g/mol
LogP2.43
Rot. Bonds2

About (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469671) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469671
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(N2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)nn1
InChIInChI=1S/C19H22N4O/c1-14-7-8-17(22-21-14)23-11-9-19(10-12-23)16(13-18(24)20-19)15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyZRXDJSOTJCYDPA-MRXNPFEDSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469660
(4R)-8-(oxan-4-ylmethyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97384049
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469703
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
4-(1-methylpyrazol-4-yl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131650251
1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56916374
(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495304
4-phenyl-8-(pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155844440

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97469671) is (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(N2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)nn1.
What is the InChIKey of (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZRXDJSOTJCYDPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-7-8-17(22-21-14)23-11-9-19(10-12-23)16(13-18(24)20-19)15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).