1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

C26H21F2N7O3S — CID 126622574

IUPAC1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3n[nH]c4ccsc34)c2F)c2ccccc12
InChIInChI=1S/C26H21F2N7O3S/c27-13-10-19(34(11-13)20(36)12-35-18-7-2-1-4-14(18)23(33-35)25(29)37)26(38)30-16-6-3-5-15(21(16)28)22-24-17(31-32-22)8-9-39-24/h1-9,13,19H,10-12H2,(H2,29,37)(H,30,38)(H,31,32)/t13-,19+/m1/s1
InChIKeyGJDADJWLCLCQGN-YJYMSZOUSA-N
MW549.56 g/mol
LogP3.46
Rot. Bonds6

About 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 126622574) has the molecular formula C26H21F2N7O3S and a molecular weight of 549.56 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID126622574
Molecular FormulaC26H21F2N7O3S
Molecular Weight549.56 g/mol
Exact Mass549.14
IUPAC Name1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3n[nH]c4ccsc34)c2F)c2ccccc12
InChIInChI=1S/C26H21F2N7O3S/c27-13-10-19(34(11-13)20(36)12-35-18-7-2-1-4-14(18)23(33-35)25(29)37)26(38)30-16-6-3-5-15(21(16)28)22-24-17(31-32-22)8-9-39-24/h1-9,13,19H,10-12H2,(H2,29,37)(H,30,38)(H,31,32)/t13-,19+/m1/s1
InChIKeyGJDADJWLCLCQGN-YJYMSZOUSA-N
XLogP3.46
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.56
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Related Compounds

N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]acetamide
CID 58365242
1-(2-((2S,4R)-2-((2'-Chloro-2-fluoro-[1,1'-biphenyl]-3-yl)carbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-1H-thieno[3,2-c]pyrazole-3-carboxamide
CID 118323410
1-(2-((2S,4R)-2-(2''-chloro-2-fluorobiphenyl-3-ylcarbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-5-methyl-1H-thieno[3,2-c]pyrazole-3-carboxamide
CID 118323463
US10807952, Cmp No. 33
CID 135221662
US10807952, Cmp No. 52
CID 135221693
US10807952, Cmp No. 53
CID 135221720
N-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]-N-(4-fluorophenyl)-1H-indazole-3-carboxamide
CID 44634844
N-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]-N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 44634845
N-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]-N-(4-tert-butylphenyl)-1H-indazole-3-carboxamide
CID 44634847
3-[2-(Thiophen-2-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carbonyl]-1H-indazole
CID 53165178
1-Methyl-N-{1-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]pyrrolidin-3-YL}-1H-indazole-3-carboxamide
CID 91888162
3-(4-fluorophenyl)-1-methyl-N-(1-(thiophene-2-carbonyl)indolin-6-yl)-1H-pyrazole-5-carboxamide
CID 71796522

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 126622574) is 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3n[nH]c4ccsc34)c2F)c2ccccc12.
What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is GJDADJWLCLCQGN-YJYMSZOUSA-N. The full InChI is InChI=1S/C26H21F2N7O3S/c27-13-10-19(34(11-13)20(36)12-35-18-7-2-1-4-14(18)23(33-35)25(29)37)26(38)30-16-6-3-5-15(21(16)28)22-24-17(31-32-22)8-9-39-24/h1-9,13,19H,10-12H2,(H2,29,37)(H,30,38)(H,31,32)/t13-,19+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 549.56 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(1H-thieno[3,2-c]pyrazol-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 126622574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).