N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C24H22F2N4O2S — CID 66819615

IUPACN-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(F)c3F)cc12
InChIInChI=1S/C24H22F2N4O2S/c1-14-17-13-20(33-24(17)30(28-14)15-5-3-2-4-6-15)23(32)27-18-7-8-19(22(26)21(18)25)29-11-9-16(31)10-12-29/h2-8,13,16,31H,9-12H2,1H3,(H,27,32)
InChIKeyMDZGCXHSLLFMII-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.89
Rot. Bonds4

About N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 66819615) has the molecular formula C24H22F2N4O2S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID66819615
Molecular FormulaC24H22F2N4O2S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(F)c3F)cc12
InChIInChI=1S/C24H22F2N4O2S/c1-14-17-13-20(33-24(17)30(28-14)15-5-3-2-4-6-15)23(32)27-18-7-8-19(22(26)21(18)25)29-11-9-16(31)10-12-29/h2-8,13,16,31H,9-12H2,1H3,(H,27,32)
InChIKeyMDZGCXHSLLFMII-UHFFFAOYSA-N
XLogP4.89
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55788023
N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819670
N-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819477
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55984963
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
3-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2316216
3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819577
N-(2-ethylphenyl)-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2006111
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121

Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 66819615) is N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(F)c3F)cc12.
What is the InChIKey of N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MDZGCXHSLLFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2S/c1-14-17-13-20(33-24(17)30(28-14)15-5-3-2-4-6-15)23(32)27-18-7-8-19(22(26)21(18)25)29-11-9-16(31)10-12-29/h2-8,13,16,31H,9-12H2,1H3,(H,27,32).
What are the key properties of N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 66819615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).