3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol

C21H28N4OS — CID 71020078

IUPAC3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3cc(CN(C)C)sc13)C2
InChIInChI=1S/C21H28N4OS/c1-5-21(26,6-2)14-8-7-13-9-17(22-16(13)10-14)19-20-18(23-24-19)11-15(27-20)12-25(3)4/h7-8,10-11,17,22,26H,5-6,9,12H2,1-4H3,(H,23,24)
InChIKeyOTPWCWYUBFYNFH-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.40
Rot. Bonds6

About 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol

3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol (PubChem CID 71020078) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
PubChem CID71020078
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3cc(CN(C)C)sc13)C2
InChIInChI=1S/C21H28N4OS/c1-5-21(26,6-2)14-8-7-13-9-17(22-16(13)10-14)19-20-18(23-24-19)11-15(27-20)12-25(3)4/h7-8,10-11,17,22,26H,5-6,9,12H2,1-4H3,(H,23,24)
InChIKeyOTPWCWYUBFYNFH-UHFFFAOYSA-N
XLogP4.40
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The IUPAC name of 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol (CID 71020078) is 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol.
What is the SMILES notation for 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The canonical SMILES for 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol is CCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3cc(CN(C)C)sc13)C2.
What is the InChIKey of 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The InChIKey is OTPWCWYUBFYNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-5-21(26,6-2)14-8-7-13-9-17(22-16(13)10-14)19-20-18(23-24-19)11-15(27-20)12-25(3)4/h7-8,10-11,17,22,26H,5-6,9,12H2,1-4H3,(H,23,24).
What are the key properties of 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol has a molecular weight of 384.55 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[(dimethylamino)methyl]-2H-thieno[3,2-c]pyrazol-3-yl]-2,3-dihydro-1H-indol-6-yl]pentan-3-ol is sourced from PubChem (CID 71020078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).