3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol

C22H22N4OS — CID 89489581

IUPAC3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol
SMILESOc1cccc(Nc2n[nH]c3cc(-c4ccc(CN5CCCC5)cc4)sc23)c1
InChIInChI=1S/C22H22N4OS/c27-18-5-3-4-17(12-18)23-22-21-19(24-25-22)13-20(28-21)16-8-6-15(7-9-16)14-26-10-1-2-11-26/h3-9,12-13,27H,1-2,10-11,14H2,(H2,23,24,25)
InChIKeyCXXFXLHLBAGFNS-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.34
Rot. Bonds5

About 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol

3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol (PubChem CID 89489581) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol
PubChem CID89489581
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol
SMILESOc1cccc(Nc2n[nH]c3cc(-c4ccc(CN5CCCC5)cc4)sc23)c1
InChIInChI=1S/C22H22N4OS/c27-18-5-3-4-17(12-18)23-22-21-19(24-25-22)13-20(28-21)16-8-6-15(7-9-16)14-26-10-1-2-11-26/h3-9,12-13,27H,1-2,10-11,14H2,(H2,23,24,25)
InChIKeyCXXFXLHLBAGFNS-UHFFFAOYSA-N
XLogP5.34
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol with MolForge

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Related Compounds

3-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,4-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenol
CID 130342027
3-[[6-[4-(piperidin-1-ylmethyl)thiophen-2-yl]thieno[3,2-d]pyrimidin-4-yl]amino]phenol
CID 54675741
3-[[6-[5-(piperidin-1-ylmethyl)thiophen-2-yl]thieno[3,2-d]pyrimidin-4-yl]amino]phenol
CID 54675436
3-[[6-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1,2-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenol
CID 130341706
3-[[6-[4-[(2-hydroxyethylamino)methyl]phenyl]thieno[3,2-d]pyrimidin-4-yl]amino]phenol;hydrochloride
CID 54675330
N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 141009758
2-[2-[4-[[4-[7-(1H-indol-5-ylamino)thieno[2,3-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol
CID 54281657
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide
CID 68909369
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 127034784
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
2-[[6-[4-(2-pyrrolidin-1-ylethyl)phenyl]thieno[3,2-d]pyrimidin-4-yl]amino]phenol
CID 89438672

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol?
The IUPAC name of 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol (CID 89489581) is 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol.
What is the SMILES notation for 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol?
The canonical SMILES for 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol is Oc1cccc(Nc2n[nH]c3cc(-c4ccc(CN5CCCC5)cc4)sc23)c1.
What is the InChIKey of 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol?
The InChIKey is CXXFXLHLBAGFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c27-18-5-3-4-17(12-18)23-22-21-19(24-25-22)13-20(28-21)16-8-6-15(7-9-16)14-26-10-1-2-11-26/h3-9,12-13,27H,1-2,10-11,14H2,(H2,23,24,25).
What are the key properties of 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol?
3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol has a molecular weight of 390.51 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 89489581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).