(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone

C29H35N5O — CID 134329486

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5c(C)n[nH]c5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H35N5O/c1-16(2)26-24-15-22(7-8-25(24)31-28(26)23-13-17(3)30-18(4)14-23)21-9-11-34(12-10-21)29(35)27-19(5)32-33-20(27)6/h7-8,13-16,21,31H,9-12H2,1-6H3,(H,32,33)
InChIKeyRZCVBHZHGAXIBJ-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.33
Rot. Bonds4

About (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone

(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone (PubChem CID 134329486) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
PubChem CID134329486
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5c(C)n[nH]c5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H35N5O/c1-16(2)26-24-15-22(7-8-25(24)31-28(26)23-13-17(3)30-18(4)14-23)21-9-11-34(12-10-21)29(35)27-19(5)32-33-20(27)6/h7-8,13-16,21,31H,9-12H2,1-6H3,(H,32,33)
InChIKeyRZCVBHZHGAXIBJ-UHFFFAOYSA-N
XLogP6.33
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575365
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(1-methylcyclopropyl)methylamino]ethanone
CID 134329917
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one
CID 134330175
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134329526
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 134329418
tert-butyl 4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 134329777
2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329893

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone (CID 134329486) is (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5c(C)n[nH]c5C)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone?
The InChIKey is RZCVBHZHGAXIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-16(2)26-24-15-22(7-8-25(24)31-28(26)23-13-17(3)30-18(4)14-23)21-9-11-34(12-10-21)29(35)27-19(5)32-33-20(27)6/h7-8,13-16,21,31H,9-12H2,1-6H3,(H,32,33).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone?
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone has a molecular weight of 469.63 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 134329486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).