3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide

C20H18N4O2S — CID 91625782

IUPAC3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)NCc3cccnc3-c3cccs3)cc2nn1C
InChIInChI=1S/C20H18N4O2S/c1-24-20(26-2)15-8-7-13(11-16(15)23-24)19(25)22-12-14-5-3-9-21-18(14)17-6-4-10-27-17/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyHYCOFANUGTWSGE-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.64
Rot. Bonds5

About 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide

3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide (PubChem CID 91625782) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide
PubChem CID91625782
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)NCc3cccnc3-c3cccs3)cc2nn1C
InChIInChI=1S/C20H18N4O2S/c1-24-20(26-2)15-8-7-13(11-16(15)23-24)19(25)22-12-14-5-3-9-21-18(14)17-6-4-10-27-17/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyHYCOFANUGTWSGE-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3240479
2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-[2-(2-thienyl)ethyl]-
CID 11958408
2H-Indazole-6-carboxamide, 3-ethoxy-2-propyl-N-[2-(2-thienyl)ethyl]-
CID 11958423
2H-Indazole-6-carboxamide, 3-ethoxy-2-ethyl-N-[2-(2-thienyl)ethyl]-
CID 11958436
2H-Indazole-6-carboxamide, 2-ethyl-3-methoxy-N-[2-(2-thienyl)ethyl]-
CID 11958678
N-(2-aminophenyl)-5-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]thiophene-2-carboxamide
CID 145966334
4-ethoxy-2-(4-fluorophenyl)-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)quinoline-7-carboxamide
CID 122431384
4-ethoxy-2-(4-fluorophenyl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 122431404
US11104690, Example 140-A
CID 162678359
US11104690, Example 155-A
CID 162678372
US9914735, Example 54
CID 118401284
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 124085686

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide?
The IUPAC name of 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide (CID 91625782) is 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide is COc1c2ccc(C(=O)NCc3cccnc3-c3cccs3)cc2nn1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide?
The InChIKey is HYCOFANUGTWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-20(26-2)15-8-7-13(11-16(15)23-24)19(25)22-12-14-5-3-9-21-18(14)17-6-4-10-27-17/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide?
3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 91625782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).