2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide

C16H17N3O3 — CID 175746516

IUPAC2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide
SMILESNC(=O)c1ccc2nn(CC3COC4=CCCOC43)cc2c1
InChIInChI=1S/C16H17N3O3/c17-16(20)10-3-4-13-11(6-10)7-19(18-13)8-12-9-22-14-2-1-5-21-15(12)14/h2-4,6-7,12,15H,1,5,8-9H2,(H2,17,20)
InChIKeyPTNYMSKJGHGFJA-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.45
Rot. Bonds3

About 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide

2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide (PubChem CID 175746516) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide
PubChem CID175746516
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide
SMILESNC(=O)c1ccc2nn(CC3COC4=CCCOC43)cc2c1
InChIInChI=1S/C16H17N3O3/c17-16(20)10-3-4-13-11(6-10)7-19(18-13)8-12-9-22-14-2-1-5-21-15(12)14/h2-4,6-7,12,15H,1,5,8-9H2,(H2,17,20)
InChIKeyPTNYMSKJGHGFJA-UHFFFAOYSA-N
XLogP1.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylindazole-5-carboxamide
CID 142796121
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CID 169188070
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CID 51352388
2-nonan-3-ylindazole-5-carboxamide
CID 175937142
3-(methoxymethyl)quinoxaline-6-carboxamide
CID 175844720
2-(5-aminoindazol-2-yl)acetic acid
CID 122637062
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CID 95274181
N-(2-aminophenyl)-2-benzylindazole-5-carboxamide
CID 86299757
3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
CID 128998358
2-bromo-3H-benzimidazole-5-carboxamide
CID 130960891
2-methylquinoxaline-6-carboxamide
CID 89421881
5-bromo-2-(piperidin-4-ylmethyl)indazole
CID 84815226

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide?
The IUPAC name of 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide (CID 175746516) is 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide.
What is the SMILES notation for 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide?
The canonical SMILES for 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide is NC(=O)c1ccc2nn(CC3COC4=CCCOC43)cc2c1.
What is the InChIKey of 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide?
The InChIKey is PTNYMSKJGHGFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c17-16(20)10-3-4-13-11(6-10)7-19(18-13)8-12-9-22-14-2-1-5-21-15(12)14/h2-4,6-7,12,15H,1,5,8-9H2,(H2,17,20).
What are the key properties of 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide?
2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,5,6-tetrahydro-2H-furo[3,2-b]pyran-3-ylmethyl)indazole-5-carboxamide is sourced from PubChem (CID 175746516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).