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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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).