[3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C24H28N4O — CID 121279700

IUPAC[3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2)c1
InChIInChI=1S/C24H28N4O/c1-15(2)21-13-23(27-26-21)24(29)28-9-8-19(14-28)22-12-20(11-17(4)25-22)18-7-5-6-16(3)10-18/h5-7,10-13,15,19H,8-9,14H2,1-4H3,(H,26,27)
InChIKeyDWKIUDZFZWEOFL-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.84
Rot. Bonds4

About [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279700) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279700
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2)c1
InChIInChI=1S/C24H28N4O/c1-15(2)21-13-23(27-26-21)24(29)28-9-8-19(14-28)22-12-20(11-17(4)25-22)18-7-5-6-16(3)10-18/h5-7,10-13,15,19H,8-9,14H2,1-4H3,(H,26,27)
InChIKeyDWKIUDZFZWEOFL-UHFFFAOYSA-N
XLogP4.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone 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 [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279700) is [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2)c1.
What is the InChIKey of [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is DWKIUDZFZWEOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15(2)21-13-23(27-26-21)24(29)28-9-8-19(14-28)22-12-20(11-17(4)25-22)18-7-5-6-16(3)10-18/h5-7,10-13,15,19H,8-9,14H2,1-4H3,(H,26,27).
What are the key properties of [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-methyl-4-(3-methylphenyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).