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

C23H27N5O — CID 121279583

IUPAC[3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2)cn1
InChIInChI=1S/C23H27N5O/c1-14(2)20-11-22(27-26-20)23(29)28-8-7-18(13-28)21-10-19(9-16(4)25-21)17-6-5-15(3)24-12-17/h5-6,9-12,14,18H,7-8,13H2,1-4H3,(H,26,27)
InChIKeyZBOWZNCBCMOXPL-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.24
Rot. Bonds4

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

[3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279583) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is [3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279583
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name[3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2)cn1
InChIInChI=1S/C23H27N5O/c1-14(2)20-11-22(27-26-20)23(29)28-8-7-18(13-28)21-10-19(9-16(4)25-21)17-6-5-15(3)24-12-17/h5-6,9-12,14,18H,7-8,13H2,1-4H3,(H,26,27)
InChIKeyZBOWZNCBCMOXPL-UHFFFAOYSA-N
XLogP4.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[6-methyl-4-(6-methyl-3-pyridinyl)-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-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279583) is [3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2)cn1.
What is the InChIKey of [3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is ZBOWZNCBCMOXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-14(2)20-11-22(27-26-20)23(29)28-8-7-18(13-28)21-10-19(9-16(4)25-21)17-6-5-15(3)24-12-17/h5-6,9-12,14,18H,7-8,13H2,1-4H3,(H,26,27).
What are the key properties of [3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 389.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).