3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C26H27N5O2S — CID 24750943

IUPAC3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCN(C(=O)c1ccc(N2CCC2)cc1)c1[nH]nc2sc(C(=O)NC(C)(C)c3ccccc3)cc12
InChIInChI=1S/C26H27N5O2S/c1-26(2,18-8-5-4-6-9-18)27-23(32)21-16-20-22(28-29-24(20)34-21)30(3)25(33)17-10-12-19(13-11-17)31-14-7-15-31/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyIHVOFVXWYUKCSV-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.78
Rot. Bonds6

About 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 24750943) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID24750943
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCN(C(=O)c1ccc(N2CCC2)cc1)c1[nH]nc2sc(C(=O)NC(C)(C)c3ccccc3)cc12
InChIInChI=1S/C26H27N5O2S/c1-26(2,18-8-5-4-6-9-18)27-23(32)21-16-20-22(28-29-24(20)34-21)30(3)25(33)17-10-12-19(13-11-17)31-14-7-15-31/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyIHVOFVXWYUKCSV-UHFFFAOYSA-N
XLogP4.78
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-pyrazolo[4,3-d][1,3]thiazole-5-carboxamide
CID 24810365
N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-3-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67158417
N-[2-(4-methoxyphenyl)propan-2-yl]-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786078
N-[2-(4-fluorophenyl)propan-2-yl]-3-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66784959
N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67158470
3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67159226
N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 70968487
N-[(2-methylphenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399960
N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398597
N-[2-(2-methoxyphenyl)propan-2-yl]-3-[[4-(1-methylpiperidin-4-yl)oxybenzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786961
ethyl 3-[[4-(4-methylpiperazin-1-yl)-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazole-1-carboxylate
CID 67158431
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 24750943) is 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is CN(C(=O)c1ccc(N2CCC2)cc1)c1[nH]nc2sc(C(=O)NC(C)(C)c3ccccc3)cc12.
What is the InChIKey of 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is IHVOFVXWYUKCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-26(2,18-8-5-4-6-9-18)27-23(32)21-16-20-22(28-29-24(20)34-21)30(3)25(33)17-10-12-19(13-11-17)31-14-7-15-31/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,27,32)(H,28,29).
What are the key properties of 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(azetidin-1-yl)benzoyl]-methylamino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 24750943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).