N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H20N4OS — CID 167877695

IUPACN-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NC1CSCc3ccccc31)c(C)nn2C
InChIInChI=1S/C19H20N4OS/c1-11-16(8-15-12(2)22-23(3)18(15)20-11)19(24)21-17-10-25-9-13-6-4-5-7-14(13)17/h4-8,17H,9-10H2,1-3H3,(H,21,24)
InChIKeyZPVDOQPJGHXGBW-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.30
Rot. Bonds2

About N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 167877695) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID167877695
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NC1CSCc3ccccc31)c(C)nn2C
InChIInChI=1S/C19H20N4OS/c1-11-16(8-15-12(2)22-23(3)18(15)20-11)19(24)21-17-10-25-9-13-6-4-5-7-14(13)17/h4-8,17H,9-10H2,1-3H3,(H,21,24)
InChIKeyZPVDOQPJGHXGBW-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37019957
1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 167936768
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
6-cyclopropyl-1,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148429
1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167824044
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 37001049
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 37000073
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111658866
6-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617243

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 167877695) is N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)NC1CSCc3ccccc31)c(C)nn2C.
What is the InChIKey of N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZPVDOQPJGHXGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-11-16(8-15-12(2)22-23(3)18(15)20-11)19(24)21-17-10-25-9-13-6-4-5-7-14(13)17/h4-8,17H,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 167877695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).