[1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate

C26H30N6O5 — CID 175099669

IUPAC[1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(OC(N)=O)C4)cc(OC)c3n2C)cc2ccc(=O)n(C)c21
InChIInChI=1S/C26H30N6O5/c1-5-32-19(12-15-8-9-21(33)29(2)24(15)32)23-28-18-11-16(13-20(36-4)22(18)30(23)3)25(34)31-10-6-7-17(14-31)37-26(27)35/h8-9,11-13,17H,5-7,10,14H2,1-4H3,(H2,27,35)
InChIKeyJUKSIELVQIXXCC-UHFFFAOYSA-N
MW506.56 g/mol
LogP2.62
Rot. Bonds5

About [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate

[1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate (PubChem CID 175099669) has the molecular formula C26H30N6O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
PubChem CID175099669
Molecular FormulaC26H30N6O5
Molecular Weight506.56 g/mol
Exact Mass506.23
IUPAC Name[1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(OC(N)=O)C4)cc(OC)c3n2C)cc2ccc(=O)n(C)c21
InChIInChI=1S/C26H30N6O5/c1-5-32-19(12-15-8-9-21(33)29(2)24(15)32)23-28-18-11-16(13-20(36-4)22(18)30(23)3)25(34)31-10-6-7-17(14-31)37-26(27)35/h8-9,11-13,17H,5-7,10,14H2,1-4H3,(H2,27,35)
InChIKeyJUKSIELVQIXXCC-UHFFFAOYSA-N
XLogP2.62
TPSA126.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[(3R)-1-[2-(6-ethyl-3-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175300697
[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351494
[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351492
[1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175109884
[(3R)-1-[7-methoxy-1-methyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-b]pyrrol-5-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175300677
[1-[2-[2-cyclopropyl-4-(cyclopropylmethyl)pyrrolo[2,3-d][1,3]thiazol-5-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175110194
[(3R)-1-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] N-tert-butylcarbamate
CID 175105588
[1-[2-(1-ethyl-5-fluoroindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175101015
(3-aminopiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 118158934
[(3R)-1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] N-tert-butylcarbamate
CID 175103864
[(3R)-3-aminopiperidin-1-yl]-[2-[7-(cyclopropylmethyl)-2-methylpyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 129230157
(3-aminoazepan-1-yl)-[2-(6-ethylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 155433370

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The IUPAC name of [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate (CID 175099669) is [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The canonical SMILES for [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate is CCn1c(-c2nc3cc(C(=O)N4CCCC(OC(N)=O)C4)cc(OC)c3n2C)cc2ccc(=O)n(C)c21.
What is the InChIKey of [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The InChIKey is JUKSIELVQIXXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O5/c1-5-32-19(12-15-8-9-21(33)29(2)24(15)32)23-28-18-11-16(13-20(36-4)22(18)30(23)3)25(34)31-10-6-7-17(14-31)37-26(27)35/h8-9,11-13,17H,5-7,10,14H2,1-4H3,(H2,27,35).
What are the key properties of [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
[1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate has a molecular weight of 506.56 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175099669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).