1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

C16H19N3O2S — CID 93068839

IUPAC1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCn1nc(C(=O)NC[C@H]2CCCO2)c2c1-c1ccsc1CC2
InChIInChI=1S/C16H19N3O2S/c1-19-15-11-6-8-22-13(11)5-4-12(15)14(18-19)16(20)17-9-10-3-2-7-21-10/h6,8,10H,2-5,7,9H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyBONGOUOMCBVKFT-SNVBAGLBSA-N
MW317.41 g/mol
LogP2.16
Rot. Bonds3

About 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (PubChem CID 93068839) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
PubChem CID93068839
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCn1nc(C(=O)NC[C@H]2CCCO2)c2c1-c1ccsc1CC2
InChIInChI=1S/C16H19N3O2S/c1-19-15-11-6-8-22-13(11)5-4-12(15)14(18-19)16(20)17-9-10-3-2-7-21-10/h6,8,10H,2-5,7,9H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyBONGOUOMCBVKFT-SNVBAGLBSA-N
XLogP2.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948522
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 46340969
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068846
8-chloro-1-methyl-N-(oxolan-2-ylmethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000395
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 136538538
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125445329
1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24624909
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240379
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (CID 93068839) is 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is Cn1nc(C(=O)NC[C@H]2CCCO2)c2c1-c1ccsc1CC2.
What is the InChIKey of 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The InChIKey is BONGOUOMCBVKFT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-19-15-11-6-8-22-13(11)5-4-12(15)14(18-19)16(20)17-9-10-3-2-7-21-10/h6,8,10H,2-5,7,9H2,1H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is sourced from PubChem (CID 93068839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).