3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide

C20H19F4N7O2 — CID 177372848

IUPAC3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cc(-c3cnn(CC(F)(F)F)c3)ccc2F)nc1C(=O)NC1CNC[C@H]1O
InChIInChI=1S/C20H19F4N7O2/c21-13-2-1-10(11-4-28-31(8-11)9-20(22,23)24)3-12(13)14-6-27-18(25)17(29-14)19(33)30-15-5-26-7-16(15)32/h1-4,6,8,15-16,26,32H,5,7,9H2,(H2,25,27)(H,30,33)/t15?,16-/m1/s1
InChIKeyMUNRDJFVEFXDOW-OEMAIJDKSA-N
MW465.41 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide

3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 177372848) has the molecular formula C20H19F4N7O2 and a molecular weight of 465.41 g/mol. Its IUPAC name is 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID177372848
Molecular FormulaC20H19F4N7O2
Molecular Weight465.41 g/mol
Exact Mass465.15
IUPAC Name3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cc(-c3cnn(CC(F)(F)F)c3)ccc2F)nc1C(=O)NC1CNC[C@H]1O
InChIInChI=1S/C20H19F4N7O2/c21-13-2-1-10(11-4-28-31(8-11)9-20(22,23)24)3-12(13)14-6-27-18(25)17(29-14)19(33)30-15-5-26-7-16(15)32/h1-4,6,8,15-16,26,32H,5,7,9H2,(H2,25,27)(H,30,33)/t15?,16-/m1/s1
InChIKeyMUNRDJFVEFXDOW-OEMAIJDKSA-N
XLogP1.35
TPSA130.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-(5,5-difluoropiperidin-3-yl)-6-[5-fluoro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4-pyridinyl]pyrazine-2-carboxamide
CID 170221810
3-amino-N-[(3S,5S)-5-fluoropiperidin-3-yl]-6-[3-[1-(isocyanomethyl)pyrazol-4-yl]phenyl]pyrazine-2-carboxamide
CID 176780916
3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide
CID 170222065
3-amino-6-[2-[1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-5-fluoro-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide
CID 174115957
N-[(3R,4R)-3-amino-1-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
CID 176780918
3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide
CID 170221957
3-amino-6-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651435
3-amino-6-[3-[(2,3-difluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651209
[2-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 164885241
3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650950
3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650258
3-amino-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-[2-(trideuteriomethyl)-5-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]phenyl]pyrazine-2-carboxamide
CID 151809863

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide (CID 177372848) is 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide is Nc1ncc(-c2cc(-c3cnn(CC(F)(F)F)c3)ccc2F)nc1C(=O)NC1CNC[C@H]1O.
What is the InChIKey of 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is MUNRDJFVEFXDOW-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H19F4N7O2/c21-13-2-1-10(11-4-28-31(8-11)9-20(22,23)24)3-12(13)14-6-27-18(25)17(29-14)19(33)30-15-5-26-7-16(15)32/h1-4,6,8,15-16,26,32H,5,7,9H2,(H2,25,27)(H,30,33)/t15?,16-/m1/s1.
What are the key properties of 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide?
3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 465.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 177372848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).