(5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone

C26H29N5O2S — CID 155454900

IUPAC(5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
SMILESCOc1cc(C(=O)N2CCC=C(N)C2)cc2nc(-c3cc4ccsc4n3CC3CCC3)n(C)c12
InChIInChI=1S/C26H29N5O2S/c1-29-23-20(11-18(13-22(23)33-2)25(32)30-9-4-7-19(27)15-30)28-24(29)21-12-17-8-10-34-26(17)31(21)14-16-5-3-6-16/h7-8,10-13,16H,3-6,9,14-15,27H2,1-2H3
InChIKeyJEHKQOJGUQXTHQ-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.75
Rot. Bonds5

About (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone

(5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone (PubChem CID 155454900) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Name(5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
PubChem CID155454900
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC Name(5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
SMILESCOc1cc(C(=O)N2CCC=C(N)C2)cc2nc(-c3cc4ccsc4n3CC3CCC3)n(C)c12
InChIInChI=1S/C26H29N5O2S/c1-29-23-20(11-18(13-22(23)33-2)25(32)30-9-4-7-19(27)15-30)28-24(29)21-12-17-8-10-34-26(17)31(21)14-16-5-3-6-16/h7-8,10-13,16H,3-6,9,14-15,27H2,1-2H3
InChIKeyJEHKQOJGUQXTHQ-UHFFFAOYSA-N
XLogP4.75
TPSA78.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone with MolForge

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Related Compounds

(3-aminoazepan-1-yl)-[2-(6-ethylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 155433370
(3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride
CID 175107239
[(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-[7-methoxy-1-methyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-b]pyrrol-5-yl]benzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 155433372
tert-butyl N-[1-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
CID 175104821
[(3S)-3-(aminomethyl)piperidin-1-yl]-[2-[7-(cyclobuten-1-yl)-1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 174030017
[(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
[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703116
tert-butyl N-[1-[2-[6-(cyclopropylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylindole-5-carbonyl]piperidin-3-yl]carbamate
CID 156697288
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-(cyclopropylmethyl)-2-methylthieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride
CID 156697330
2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340186
2-amino-1-[3-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]azetidin-1-yl]ethanone
CID 174029966

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone (CID 155454900) is (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone is COc1cc(C(=O)N2CCC=C(N)C2)cc2nc(-c3cc4ccsc4n3CC3CCC3)n(C)c12.
What is the InChIKey of (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is JEHKQOJGUQXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-29-23-20(11-18(13-22(23)33-2)25(32)30-9-4-7-19(27)15-30)28-24(29)21-12-17-8-10-34-26(17)31(21)14-16-5-3-6-16/h7-8,10-13,16H,3-6,9,14-15,27H2,1-2H3.
What are the key properties of (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
(5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 475.62 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,6-dihydro-2H-pyridin-1-yl)-[2-[6-(cyclobutylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 155454900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).