1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid

C22H26FN5O4 — CID 140696590

IUPAC1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(=O)O)c2cc(C)nc(C)c21
InChIInChI=1S/C22H26FN5O4/c1-10(2)15(23)8-24-21(30)17-7-13-6-16(13)28(17)18(29)9-27-20-12(4)25-11(3)5-14(20)19(26-27)22(31)32/h5,13,16-17H,6-9H2,1-4H3,(H,24,30)(H,31,32)/t13-,16-,17+/m1/s1
InChIKeyZRLHIXAMJHYJFQ-XYPHTWIQSA-N
MW443.48 g/mol
LogP2.12
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid

1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 140696590) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID140696590
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC Name1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(=O)O)c2cc(C)nc(C)c21
InChIInChI=1S/C22H26FN5O4/c1-10(2)15(23)8-24-21(30)17-7-13-6-16(13)28(17)18(29)9-27-20-12(4)25-11(3)5-14(20)19(26-27)22(31)32/h5,13,16-17H,6-9H2,1-4H3,(H,24,30)(H,31,32)/t13-,16-,17+/m1/s1
InChIKeyZRLHIXAMJHYJFQ-XYPHTWIQSA-N
XLogP2.12
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

[1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridin-3-yl] carbamate
CID 130234556
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 140600055
1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 90020081
[5-ethyl-1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridin-3-yl] carbamate
CID 130234560
(1R,3S,5R)-2-[2-(6-aminopurin-9-yl)acetyl]-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166518153
1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 90020184
5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 140674869
tert-butyl (1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 90019875
1-[2-[(1R,3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridazine-3-carboxylic acid
CID 90019600
1-[2-oxo-2-[(1R,3S,5R)-3-[[(1S,3S)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 118073438
(1R,3S,5R)-3-[[(Z)-2-fluoro-3-phenylbut-2-enyl]carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 126642896
1-[2-[(1R,3S)-3-[(3,3-dimethyl-2-oxobutyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163942175

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 140696590) is 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid is CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(=O)O)c2cc(C)nc(C)c21.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is ZRLHIXAMJHYJFQ-XYPHTWIQSA-N. The full InChI is InChI=1S/C22H26FN5O4/c1-10(2)15(23)8-24-21(30)17-7-13-6-16(13)28(17)18(29)9-27-20-12(4)25-11(3)5-14(20)19(26-27)22(31)32/h5,13,16-17H,6-9H2,1-4H3,(H,24,30)(H,31,32)/t13-,16-,17+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 443.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 140696590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).