5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide

C15H14ClN3OS — CID 53145042

IUPAC5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCn1cc(CCNC(=O)c2ccc(Cl)s2)c2cccnc21
InChIInChI=1S/C15H14ClN3OS/c1-19-9-10(11-3-2-7-17-14(11)19)6-8-18-15(20)12-4-5-13(16)21-12/h2-5,7,9H,6,8H2,1H3,(H,18,20)
InChIKeyZZRYHVATZDVKOB-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.26
Rot. Bonds4

About 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 53145042) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID53145042
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCn1cc(CCNC(=O)c2ccc(Cl)s2)c2cccnc21
InChIInChI=1S/C15H14ClN3OS/c1-19-9-10(11-3-2-7-17-14(11)19)6-8-18-15(20)12-4-5-13(16)21-12/h2-5,7,9H,6,8H2,1H3,(H,18,20)
InChIKeyZZRYHVATZDVKOB-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide (CID 53145042) is 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide is Cn1cc(CCNC(=O)c2ccc(Cl)s2)c2cccnc21.
What is the InChIKey of 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is ZZRYHVATZDVKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-19-9-10(11-3-2-7-17-14(11)19)6-8-18-15(20)12-4-5-13(16)21-12/h2-5,7,9H,6,8H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 319.82 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 53145042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).