(2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol

C17H19N3OS — CID 71020072

IUPAC(2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol
SMILESCC[C@](C)(O)c1ccc2c(c1)CC(c1[nH]nc3ccsc13)N2
InChIInChI=1S/C17H19N3OS/c1-3-17(2,21)11-4-5-12-10(8-11)9-14(18-12)15-16-13(19-20-15)6-7-22-16/h4-8,14,18,21H,3,9H2,1-2H3,(H,19,20)/t14?,17-/m0/s1
InChIKeyHATIKRFKBZLUEH-JRZJBTRGSA-N
MW313.43 g/mol
LogP3.95
Rot. Bonds3

About (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol

(2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol (PubChem CID 71020072) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol
PubChem CID71020072
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol
SMILESCC[C@](C)(O)c1ccc2c(c1)CC(c1[nH]nc3ccsc13)N2
InChIInChI=1S/C17H19N3OS/c1-3-17(2,21)11-4-5-12-10(8-11)9-14(18-12)15-16-13(19-20-15)6-7-22-16/h4-8,14,18,21H,3,9H2,1-2H3,(H,19,20)/t14?,17-/m0/s1
InChIKeyHATIKRFKBZLUEH-JRZJBTRGSA-N
XLogP3.95
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol?
The IUPAC name of (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol (CID 71020072) is (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol.
What is the SMILES notation for (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol?
The canonical SMILES for (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol is CC[C@](C)(O)c1ccc2c(c1)CC(c1[nH]nc3ccsc13)N2.
What is the InChIKey of (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol?
The InChIKey is HATIKRFKBZLUEH-JRZJBTRGSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-17(2,21)11-4-5-12-10(8-11)9-14(18-12)15-16-13(19-20-15)6-7-22-16/h4-8,14,18,21H,3,9H2,1-2H3,(H,19,20)/t14?,17-/m0/s1.
What are the key properties of (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol?
(2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol has a molecular weight of 313.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol is sourced from PubChem (CID 71020072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).