2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone

C34H45N5O — CID 175040062

IUPAC2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCCC1(CC)CCCCN1CC(=O)N1CCC(c2ccc3[nH]c(-c4ccnc5[nH]ccc45)c(C(C)C)c3c2)CC1
InChIInChI=1S/C34H45N5O/c1-5-34(6-2)15-7-8-18-39(34)22-30(40)38-19-13-24(14-20-38)25-9-10-29-28(21-25)31(23(3)4)32(37-29)26-11-16-35-33-27(26)12-17-36-33/h9-12,16-17,21,23-24,37H,5-8,13-15,18-20,22H2,1-4H3,(H,35,36)
InChIKeyFMRUMIMVISSKFR-UHFFFAOYSA-N
MW539.77 g/mol
LogP7.59
Rot. Bonds7

About 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone

2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone (PubChem CID 175040062) has the molecular formula C34H45N5O and a molecular weight of 539.77 g/mol. Its IUPAC name is 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
PubChem CID175040062
Molecular FormulaC34H45N5O
Molecular Weight539.77 g/mol
Exact Mass539.36
IUPAC Name2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCCC1(CC)CCCCN1CC(=O)N1CCC(c2ccc3[nH]c(-c4ccnc5[nH]ccc45)c(C(C)C)c3c2)CC1
InChIInChI=1S/C34H45N5O/c1-5-34(6-2)15-7-8-18-39(34)22-30(40)38-19-13-24(14-20-38)25-9-10-29-28(21-25)31(23(3)4)32(37-29)26-11-16-35-33-27(26)12-17-36-33/h9-12,16-17,21,23-24,37H,5-8,13-15,18-20,22H2,1-4H3,(H,35,36)
InChIKeyFMRUMIMVISSKFR-UHFFFAOYSA-N
XLogP7.59
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.77
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N,N-diethyl-2-[1-[2-oxo-2-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethyl]piperidin-3-yl]acetamide
CID 155796980
4-[2-oxo-2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethyl]piperazin-2-one
CID 142594746
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
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-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 142594342
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 142594614
4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 142594418
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
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
2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594157
1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
CID 142594298

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone (CID 175040062) is 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone is CCC1(CC)CCCCN1CC(=O)N1CCC(c2ccc3[nH]c(-c4ccnc5[nH]ccc45)c(C(C)C)c3c2)CC1.
What is the InChIKey of 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is FMRUMIMVISSKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N5O/c1-5-34(6-2)15-7-8-18-39(34)22-30(40)38-19-13-24(14-20-38)25-9-10-29-28(21-25)31(23(3)4)32(37-29)26-11-16-35-33-27(26)12-17-36-33/h9-12,16-17,21,23-24,37H,5-8,13-15,18-20,22H2,1-4H3,(H,35,36).
What are the key properties of 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone?
2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 539.77 g/mol, XLogP of 7.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 175040062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).