2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide

C19H27N3O3 — CID 11958463

IUPAC2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1OCC
InChIInChI=1S/C19H27N3O3/c1-3-5-10-22-19(24-4-2)16-9-8-14(12-17(16)21-22)18(23)20-13-15-7-6-11-25-15/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyUTJVIOPWRGFUOA-HNNXBMFYSA-N
MW345.44 g/mol
LogP3.14
Rot. Bonds8

About 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide

2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide (PubChem CID 11958463) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide
PubChem CID11958463
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1OCC
InChIInChI=1S/C19H27N3O3/c1-3-5-10-22-19(24-4-2)16-9-8-14(12-17(16)21-22)18(23)20-13-15-7-6-11-25-15/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyUTJVIOPWRGFUOA-HNNXBMFYSA-N
XLogP3.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-(2-furanylmethyl)-
CID 11958393
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-butyl-3-ethoxyindazole-6-carboxamide
CID 11958395
N-Benzyl-2-butyl-3-ethoxy-2H-indazole-6-carboxamide
CID 11958402
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958403
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide
CID 11958404
3-ethoxy-2-methyl-N-piperonyl-indazole-6-carboxamide
CID 11958405
2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
CID 11958407
2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-[2-(2-thienyl)ethyl]-
CID 11958408
2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide
CID 11958409
2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide
CID 11958412
N-(1,3-benzodioxol-5-ylmethyl)-2-butyl-3-ethoxyindazole-6-carboxamide
CID 11958416
3-ethoxy-2-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)indazole-6-carboxamide
CID 11958418

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide?
The IUPAC name of 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide (CID 11958463) is 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide.
What is the SMILES notation for 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide?
The canonical SMILES for 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide is CCCCn1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1OCC.
What is the InChIKey of 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide?
The InChIKey is UTJVIOPWRGFUOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-5-10-22-19(24-4-2)16-9-8-14(12-17(16)21-22)18(23)20-13-15-7-6-11-25-15/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide?
2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide is sourced from PubChem (CID 11958463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).