2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H18N6OS — CID 121259552

IUPAC2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC#Cc1csc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)cc12
InChIInChI=1S/C24H18N6OS/c1-3-15-13-32-24-18(15)12-17(16-8-5-4-6-9-16)20(28-24)14(2)27-23(31)19-21(25)29-30-11-7-10-26-22(19)30/h1,4-14H,2H3,(H2,25,29)(H,27,31)/t14-/m1/s1
InChIKeyFNDSPVWIBCPNGH-CQSZACIVSA-N
MW438.52 g/mol
LogP4.06
Rot. Bonds4

About 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121259552) has the molecular formula C24H18N6OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121259552
Molecular FormulaC24H18N6OS
Molecular Weight438.52 g/mol
Exact Mass438.13
IUPAC Name2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC#Cc1csc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)cc12
InChIInChI=1S/C24H18N6OS/c1-3-15-13-32-24-18(15)12-17(16-8-5-4-6-9-16)20(28-24)14(2)27-23(31)19-21(25)29-30-11-7-10-26-22(19)30/h1,4-14H,2H3,(H2,25,29)(H,27,31)/t14-/m1/s1
InChIKeyFNDSPVWIBCPNGH-CQSZACIVSA-N
XLogP4.06
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-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 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121259552) is 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C#Cc1csc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)cc12.
What is the InChIKey of 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FNDSPVWIBCPNGH-CQSZACIVSA-N. The full InChI is InChI=1S/C24H18N6OS/c1-3-15-13-32-24-18(15)12-17(16-8-5-4-6-9-16)20(28-24)14(2)27-23(31)19-21(25)29-30-11-7-10-26-22(19)30/h1,4-14H,2H3,(H2,25,29)(H,27,31)/t14-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(3-ethynyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121259552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).