4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

C23H21N3OS — CID 3225214

IUPAC4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C23H21N3OS/c27-23(25(19-6-7-19)15-18-8-11-24-12-9-18)21-14-22-20(10-13-28-22)26(21)16-17-4-2-1-3-5-17/h1-5,8-14,19H,6-7,15-16H2
InChIKeyCQKISGJRSDMTTH-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.95
Rot. Bonds6

About 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225214) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225214
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C23H21N3OS/c27-23(25(19-6-7-19)15-18-8-11-24-12-9-18)21-14-22-20(10-13-28-22)26(21)16-17-4-2-1-3-5-17/h1-5,8-14,19H,6-7,15-16H2
InChIKeyCQKISGJRSDMTTH-UHFFFAOYSA-N
XLogP4.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 51048620
4-benzyl-N-(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6491500
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 60777644
(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 3225183
4-benzyl-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225203
N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3740603
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
4-benzyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437560
(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
CID 1427980
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3860168

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3225214) is 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is O=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CQKISGJRSDMTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-23(25(19-6-7-19)15-18-8-11-24-12-9-18)21-14-22-20(10-13-28-22)26(21)16-17-4-2-1-3-5-17/h1-5,8-14,19H,6-7,15-16H2.
What are the key properties of 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).