4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide

C23H25N5O2S — CID 23585756

IUPAC4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCN1CCCC1CCOc1cc(CC#N)ccc1-c1cc2c(N)ncc(C(N)=O)c2s1
InChIInChI=1S/C23H25N5O2S/c1-28-9-2-3-15(28)7-10-30-19-11-14(6-8-24)4-5-16(19)20-12-17-21(31-20)18(23(26)29)13-27-22(17)25/h4-5,11-13,15H,2-3,6-7,9-10H2,1H3,(H2,25,27)(H2,26,29)
InChIKeyOHCQPSWGZFHKSZ-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.57
Rot. Bonds7

About 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 23585756) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID23585756
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCN1CCCC1CCOc1cc(CC#N)ccc1-c1cc2c(N)ncc(C(N)=O)c2s1
InChIInChI=1S/C23H25N5O2S/c1-28-9-2-3-15(28)7-10-30-19-11-14(6-8-24)4-5-16(19)20-12-17-21(31-20)18(23(26)29)13-27-22(17)25/h4-5,11-13,15H,2-3,6-7,9-10H2,1H3,(H2,25,27)(H2,26,29)
InChIKeyOHCQPSWGZFHKSZ-UHFFFAOYSA-N
XLogP3.57
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-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 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 23585756) is 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide is CN1CCCC1CCOc1cc(CC#N)ccc1-c1cc2c(N)ncc(C(N)=O)c2s1.
What is the InChIKey of 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is OHCQPSWGZFHKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-28-9-2-3-15(28)7-10-30-19-11-14(6-8-24)4-5-16(19)20-12-17-21(31-20)18(23(26)29)13-27-22(17)25/h4-5,11-13,15H,2-3,6-7,9-10H2,1H3,(H2,25,27)(H2,26,29).
What are the key properties of 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(cyanomethyl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 23585756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).