N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide

C21H16N4OS — CID 162428668

IUPACN-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccncc1)CSC2)c1cccc2ccccc12
InChIInChI=1S/C21H16N4OS/c26-21(17-7-3-5-14-4-1-2-6-16(14)17)23-20-18-12-27-13-19(18)24-25(20)15-8-10-22-11-9-15/h1-11H,12-13H2,(H,23,26)
InChIKeyGVNKRMPJJSHUOI-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.42
Rot. Bonds3

About N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide

N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide (PubChem CID 162428668) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide
PubChem CID162428668
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccncc1)CSC2)c1cccc2ccccc12
InChIInChI=1S/C21H16N4OS/c26-21(17-7-3-5-14-4-1-2-6-16(14)17)23-20-18-12-27-13-19(18)24-25(20)15-8-10-22-11-9-15/h1-11H,12-13H2,(H,23,26)
InChIKeyGVNKRMPJJSHUOI-UHFFFAOYSA-N
XLogP4.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide (CID 162428668) is N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide is O=C(Nc1c2c(nn1-c1ccncc1)CSC2)c1cccc2ccccc12.
What is the InChIKey of N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide?
The InChIKey is GVNKRMPJJSHUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-21(17-7-3-5-14-4-1-2-6-16(14)17)23-20-18-12-27-13-19(18)24-25(20)15-8-10-22-11-9-15/h1-11H,12-13H2,(H,23,26).
What are the key properties of N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide?
N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 162428668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).