N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide

C18H18N4O3S — CID 91779393

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccc3sc4c(c3c2)CCNC4=O)[nH]n1
InChIInChI=1S/C18H18N4O3S/c1-25-9-12-7-11(21-22-12)8-20-17(23)10-2-3-15-14(6-10)13-4-5-19-18(24)16(13)26-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyFNKQWHPCLLNOIT-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.99
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide (PubChem CID 91779393) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide
PubChem CID91779393
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccc3sc4c(c3c2)CCNC4=O)[nH]n1
InChIInChI=1S/C18H18N4O3S/c1-25-9-12-7-11(21-22-12)8-20-17(23)10-2-3-15-14(6-10)13-4-5-19-18(24)16(13)26-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyFNKQWHPCLLNOIT-UHFFFAOYSA-N
XLogP1.99
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide (CID 91779393) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide is COCc1cc(CNC(=O)c2ccc3sc4c(c3c2)CCNC4=O)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide?
The InChIKey is FNKQWHPCLLNOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-25-9-12-7-11(21-22-12)8-20-17(23)10-2-3-15-14(6-10)13-4-5-19-18(24)16(13)26-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 91779393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).