8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide

C16H15N3O2S — CID 22511783

IUPAC8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2c1-c1[nH]ncc1CC2
InChIInChI=1S/C16H15N3O2S/c1-9-13-12(5-4-10-7-18-19-14(10)13)21-15(9)16(20)17-8-11-3-2-6-22-11/h2-3,6-7H,4-5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyAFHWVZGDEODZBO-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.07
Rot. Bonds3

About 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide

8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide (PubChem CID 22511783) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
PubChem CID22511783
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2c1-c1[nH]ncc1CC2
InChIInChI=1S/C16H15N3O2S/c1-9-13-12(5-4-10-7-18-19-14(10)13)21-15(9)16(20)17-8-11-3-2-6-22-11/h2-3,6-7H,4-5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyAFHWVZGDEODZBO-UHFFFAOYSA-N
XLogP3.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide?
The IUPAC name of 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide (CID 22511783) is 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)NCc2cccs2)oc2c1-c1[nH]ncc1CC2.
What is the InChIKey of 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide?
The InChIKey is AFHWVZGDEODZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-13-12(5-4-10-7-18-19-14(10)13)21-15(9)16(20)17-8-11-3-2-6-22-11/h2-3,6-7H,4-5,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide?
8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 22511783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).