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

C25H26F2N6O3 — CID 163292006

IUPAC5-amino-3-[2,3-difluoro-4-[2-[[3-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
SMILESCC12CC(c3cc(NC(=O)Cc4ccc(-c5nn(C6(C)CC6)c(N)c5C(N)=O)c(F)c4F)on3)(C1)C2
InChIInChI=1S/C25H26F2N6O3/c1-23-9-25(10-23,11-23)14-8-16(36-32-14)30-15(34)7-12-3-4-13(19(27)18(12)26)20-17(22(29)35)21(28)33(31-20)24(2)5-6-24/h3-4,8H,5-7,9-11,28H2,1-2H3,(H2,29,35)(H,30,34)
InChIKeyWJQDOLWETYVMJR-UHFFFAOYSA-N
MW496.52 g/mol
LogP3.63
Rot. Bonds7

About 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-methyl-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-methyl-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide (PubChem CID 163292006) has the molecular formula C25H26F2N6O3 and a molecular weight of 496.52 g/mol. Its IUPAC name is 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-methyl-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-methyl-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
PubChem CID163292006
Molecular FormulaC25H26F2N6O3
Molecular Weight496.52 g/mol
Exact Mass496.20
IUPAC Name5-amino-3-[2,3-difluoro-4-[2-[[3-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
SMILESCC12CC(c3cc(NC(=O)Cc4ccc(-c5nn(C6(C)CC6)c(N)c5C(N)=O)c(F)c4F)on3)(C1)C2
InChIInChI=1S/C25H26F2N6O3/c1-23-9-25(10-23,11-23)14-8-16(36-32-14)30-15(34)7-12-3-4-13(19(27)18(12)26)20-17(22(29)35)21(28)33(31-20)24(2)5-6-24/h3-4,8H,5-7,9-11,28H2,1-2H3,(H2,29,35)(H,30,34)
InChIKeyWJQDOLWETYVMJR-UHFFFAOYSA-N
XLogP3.63
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-methyl-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-methyl-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-methyl-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide (CID 163292006) is 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-methyl-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-methyl-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-methyl-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide is CC12CC(c3cc(NC(=O)Cc4ccc(-c5nn(C6(C)CC6)c(N)c5C(N)=O)c(F)c4F)on3)(C1)C2.
What is the InChIKey of 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?
The InChIKey is WJQDOLWETYVMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O3/c1-23-9-25(10-23,11-23)14-8-16(36-32-14)30-15(34)7-12-3-4-13(19(27)18(12)26)20-17(22(29)35)21(28)33(31-20)24(2)5-6-24/h3-4,8H,5-7,9-11,28H2,1-2H3,(H2,29,35)(H,30,34).
What are the key properties of 5-amino-3-[2,3-difluoro-4-[2-[[3-(3-methyl-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-methyl-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 496.52 g/mol, XLogP of 3.63, 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-methyl-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 163292006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).