5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide

C25H25N7O2S — CID 155578956

IUPAC5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide
SMILESC=CC(=O)N(C)C1CC(n2nc(-c3sc(C(=O)Nc4ccccn4)cc3C)c3c(N)nccc32)C1
InChIInChI=1S/C25H25N7O2S/c1-4-20(33)31(3)15-12-16(13-15)32-17-8-10-28-24(26)21(17)22(30-32)23-14(2)11-18(35-23)25(34)29-19-7-5-6-9-27-19/h4-11,15-16H,1,12-13H2,2-3H3,(H2,26,28)(H,27,29,34)
InChIKeyKXTDSBSXRNPWBO-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.05
Rot. Bonds6

About 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide

5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 155578956) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID155578956
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC Name5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide
SMILESC=CC(=O)N(C)C1CC(n2nc(-c3sc(C(=O)Nc4ccccn4)cc3C)c3c(N)nccc32)C1
InChIInChI=1S/C25H25N7O2S/c1-4-20(33)31(3)15-12-16(13-15)32-17-8-10-28-24(26)21(17)22(30-32)23-14(2)11-18(35-23)25(34)29-19-7-5-6-9-27-19/h4-11,15-16H,1,12-13H2,2-3H3,(H2,26,28)(H,27,29,34)
InChIKeyKXTDSBSXRNPWBO-UHFFFAOYSA-N
XLogP4.05
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-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-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide (CID 155578956) is 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide is C=CC(=O)N(C)C1CC(n2nc(-c3sc(C(=O)Nc4ccccn4)cc3C)c3c(N)nccc32)C1.
What is the InChIKey of 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is KXTDSBSXRNPWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-4-20(33)31(3)15-12-16(13-15)32-17-8-10-28-24(26)21(17)22(30-32)23-14(2)11-18(35-23)25(34)29-19-7-5-6-9-27-19/h4-11,15-16H,1,12-13H2,2-3H3,(H2,26,28)(H,27,29,34).
What are the key properties of 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide?
5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-N-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 155578956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).