5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C28H35N5O2 — CID 137464288

IUPAC5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C)CC4)cc3c2C(C)C)cn(C)c(=O)c1C#N
InChIInChI=1S/C28H35N5O2/c1-17(2)26-21-13-20(19-9-11-33(12-10-19)25(34)16-31(4)5)7-8-24(21)30-27(26)23-15-32(6)28(35)22(14-29)18(23)3/h7-8,13,15,17,19,30H,9-12,16H2,1-6H3
InChIKeyXLMOXIUSKTVYNQ-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.10
Rot. Bonds5

About 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 137464288) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID137464288
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C)CC4)cc3c2C(C)C)cn(C)c(=O)c1C#N
InChIInChI=1S/C28H35N5O2/c1-17(2)26-21-13-20(19-9-11-33(12-10-19)25(34)16-31(4)5)7-8-24(21)30-27(26)23-15-32(6)28(35)22(14-29)18(23)3/h7-8,13,15,17,19,30H,9-12,16H2,1-6H3
InChIKeyXLMOXIUSKTVYNQ-UHFFFAOYSA-N
XLogP4.10
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[2-(5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464429
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1-ethyl-3,4-dimethylpyridin-2-one
CID 137464389
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3,6-trimethylpyridin-2-one
CID 137469494
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-(methoxymethyl)-1-methylpyridin-2-one
CID 137464339
3-chloro-1,4-dimethyl-5-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464442
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3,7-dimethyl-1,3-benzoxazol-2-one
CID 142593753
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
2-[4-[2-(5-chloro-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropanamide
CID 137464504
2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
5-[5-(1-butylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-3-chloro-1,4-dimethylpyridin-2-one
CID 137464302
2-(dimethylamino)-1-[4-[2-(7-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594466
2-[ethyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594586

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 137464288) is 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C)CC4)cc3c2C(C)C)cn(C)c(=O)c1C#N.
What is the InChIKey of 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XLMOXIUSKTVYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-17(2)26-21-13-20(19-9-11-33(12-10-19)25(34)16-31(4)5)7-8-24(21)30-27(26)23-15-32(6)28(35)22(14-29)18(23)3/h7-8,13,15,17,19,30H,9-12,16H2,1-6H3.
What are the key properties of 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 473.62 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 137464288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).