[1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone

C19H22N4O — CID 167028621

IUPAC[1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCc1c(-c2ccc(C(=O)N3CCCCC3)n2C)ccc2[nH]ncc12
InChIInChI=1S/C19H22N4O/c1-13-14(6-7-16-15(13)12-20-21-16)17-8-9-18(22(17)2)19(24)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyLYNALLGFGQASQQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.50
Rot. Bonds2

About [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone

[1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone (PubChem CID 167028621) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone
PubChem CID167028621
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCc1c(-c2ccc(C(=O)N3CCCCC3)n2C)ccc2[nH]ncc12
InChIInChI=1S/C19H22N4O/c1-13-14(6-7-16-15(13)12-20-21-16)17-8-9-18(22(17)2)19(24)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyLYNALLGFGQASQQ-UHFFFAOYSA-N
XLogP3.50
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone (CID 167028621) is [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone is Cc1c(-c2ccc(C(=O)N3CCCCC3)n2C)ccc2[nH]ncc12.
What is the InChIKey of [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is LYNALLGFGQASQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-14(6-7-16-15(13)12-20-21-16)17-8-9-18(22(17)2)19(24)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,21).
What are the key properties of [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone?
[1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 167028621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).