2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one

C21H26N4O2 — CID 69272232

IUPAC2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one
SMILESC[C@H]1CCCN(C(=O)C2(C)Cc3ccccc3N2c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C21H26N4O2/c1-15-7-6-12-24(14-15)20(27)21(2)13-16-8-4-5-9-17(16)25(21)18-10-11-19(26)23(3)22-18/h4-5,8-11,15H,6-7,12-14H2,1-3H3/t15-,21?/m0/s1
InChIKeyRVJFCPLFTPSSQI-ZDGMYTEDSA-N
MW366.47 g/mol
LogP2.49
Rot. Bonds2

About 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one

2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one (PubChem CID 69272232) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one
PubChem CID69272232
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one
SMILESC[C@H]1CCCN(C(=O)C2(C)Cc3ccccc3N2c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C21H26N4O2/c1-15-7-6-12-24(14-15)20(27)21(2)13-16-8-4-5-9-17(16)25(21)18-10-11-19(26)23(3)22-18/h4-5,8-11,15H,6-7,12-14H2,1-3H3/t15-,21?/m0/s1
InChIKeyRVJFCPLFTPSSQI-ZDGMYTEDSA-N
XLogP2.49
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one (CID 69272232) is 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one is C[C@H]1CCCN(C(=O)C2(C)Cc3ccccc3N2c2ccc(=O)n(C)n2)C1.
What is the InChIKey of 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one?
The InChIKey is RVJFCPLFTPSSQI-ZDGMYTEDSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-7-6-12-24(14-15)20(27)21(2)13-16-8-4-5-9-17(16)25(21)18-10-11-19(26)23(3)22-18/h4-5,8-11,15H,6-7,12-14H2,1-3H3/t15-,21?/m0/s1.
What are the key properties of 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one?
2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one has a molecular weight of 366.47 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one is sourced from PubChem (CID 69272232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).