5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide

C24H23F3N6O3 — CID 163291878

IUPAC5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
SMILESCC1(n2nc(-c3ccc(CC(=O)Nc4cc(C56CC(F)(C5)C6)no4)c(F)c3F)c(C(N)=O)c2N)CC1
InChIInChI=1S/C24H23F3N6O3/c1-22(4-5-22)33-20(28)16(21(29)35)19(31-33)12-3-2-11(17(25)18(12)26)6-14(34)30-15-7-13(32-36-15)23-8-24(27,9-23)10-23/h2-3,7H,4-6,8-10,28H2,1H3,(H2,29,35)(H,30,34)
InChIKeyPRULDDUDXWQYQU-UHFFFAOYSA-N
MW500.48 g/mol
LogP3.33
Rot. Bonds7

About 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide

5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide (PubChem CID 163291878) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
PubChem CID163291878
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC Name5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
SMILESCC1(n2nc(-c3ccc(CC(=O)Nc4cc(C56CC(F)(C5)C6)no4)c(F)c3F)c(C(N)=O)c2N)CC1
InChIInChI=1S/C24H23F3N6O3/c1-22(4-5-22)33-20(28)16(21(29)35)19(31-33)12-3-2-11(17(25)18(12)26)6-14(34)30-15-7-13(32-36-15)23-8-24(27,9-23)10-23/h2-3,7H,4-6,8-10,28H2,1H3,(H2,29,35)(H,30,34)
InChIKeyPRULDDUDXWQYQU-UHFFFAOYSA-N
XLogP3.33
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide (CID 163291878) is 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide is CC1(n2nc(-c3ccc(CC(=O)Nc4cc(C56CC(F)(C5)C6)no4)c(F)c3F)c(C(N)=O)c2N)CC1.
What is the InChIKey of 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?
The InChIKey is PRULDDUDXWQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-22(4-5-22)33-20(28)16(21(29)35)19(31-33)12-3-2-11(17(25)18(12)26)6-14(34)30-15-7-13(32-36-15)23-8-24(27,9-23)10-23/h2-3,7H,4-6,8-10,28H2,1H3,(H2,29,35)(H,30,34).
What are the key properties of 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?
5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 163291878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).