(2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

C26H32N4O — CID 51586753

IUPAC(2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)[C@H](C)N4CCCC4)C3)[nH]c12
InChIInChI=1S/C26H32N4O/c1-18-7-5-9-22-23(20-10-12-27-13-11-20)25(28-24(18)22)21-8-6-16-30(17-21)26(31)19(2)29-14-3-4-15-29/h5,7,9-13,19,21,28H,3-4,6,8,14-17H2,1-2H3/t19-,21+/m0/s1
InChIKeyYFAWISKYCNSWKX-PZJWPPBQSA-N
MW416.57 g/mol
LogP4.73
Rot. Bonds4

About (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

(2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 51586753) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
PubChem CID51586753
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name(2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)[C@H](C)N4CCCC4)C3)[nH]c12
InChIInChI=1S/C26H32N4O/c1-18-7-5-9-22-23(20-10-12-27-13-11-20)25(28-24(18)22)21-8-6-16-30(17-21)26(31)19(2)29-14-3-4-15-29/h5,7,9-13,19,21,28H,3-4,6,8,14-17H2,1-2H3/t19-,21+/m0/s1
InChIKeyYFAWISKYCNSWKX-PZJWPPBQSA-N
XLogP4.73
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 92560117
1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 46960801
(2S)-1-[(3R)-3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 29258174
1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95856126
2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 110236867
[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 46953377
1-(2-piperidin-1-ylpropanoyl)-6-[(2-pyridin-4-ylphenyl)methyl]-1,4-diazepan-5-one
CID 110230056
(6S)-1-[(2R)-2-piperidin-1-ylpropanoyl]-6-[(2-pyridin-4-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92551309
[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95856127
(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 110237322
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 51586304
(2R)-2-(azepan-1-yl)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95769279

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (CID 51586753) is (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)[C@H](C)N4CCCC4)C3)[nH]c12.
What is the InChIKey of (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YFAWISKYCNSWKX-PZJWPPBQSA-N. The full InChI is InChI=1S/C26H32N4O/c1-18-7-5-9-22-23(20-10-12-27-13-11-20)25(28-24(18)22)21-8-6-16-30(17-21)26(31)19(2)29-14-3-4-15-29/h5,7,9-13,19,21,28H,3-4,6,8,14-17H2,1-2H3/t19-,21+/m0/s1.
What are the key properties of (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
(2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 416.57 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 51586753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).