N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C18H17FN4O2S — CID 43072724

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCSc3ccc(F)cc32)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C18H17FN4O2S/c1-9-7-12(15-16(20-9)23(2)22-18(15)25)17(24)21-13-5-6-26-14-4-3-10(19)8-11(13)14/h3-4,7-8,13H,5-6H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCPHUPTNBGRRDGS-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.68
Rot. Bonds2

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 43072724) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID43072724
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCSc3ccc(F)cc32)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C18H17FN4O2S/c1-9-7-12(15-16(20-9)23(2)22-18(15)25)17(24)21-13-5-6-26-14-4-3-10(19)8-11(13)14/h3-4,7-8,13H,5-6H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCPHUPTNBGRRDGS-UHFFFAOYSA-N
XLogP2.68
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-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 N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 43072724) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCSc3ccc(F)cc32)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is CPHUPTNBGRRDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-9-7-12(15-16(20-9)23(2)22-18(15)25)17(24)21-13-5-6-26-14-4-3-10(19)8-11(13)14/h3-4,7-8,13H,5-6H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43072724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).