5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide

C23H25F6N7O2 — CID 170152038

IUPAC5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
SMILESCC(C(=O)NC1=NCC(C(C)(C)C(F)(F)F)=C1)c1ccc(-c2nn(C(C)C(F)(F)F)c(N)c2C(N)=O)nc1
InChIInChI=1S/C23H25F6N7O2/c1-10(20(38)34-15-7-13(9-33-15)21(3,4)23(27,28)29)12-5-6-14(32-8-12)17-16(19(31)37)18(30)36(35-17)11(2)22(24,25)26/h5-8,10-11H,9,30H2,1-4H3,(H2,31,37)(H,33,34,38)
InChIKeySKEXHROPHIBQBH-UHFFFAOYSA-N
MW545.49 g/mol
LogP3.90
Rot. Bonds6

About 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide

5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide (PubChem CID 170152038) has the molecular formula C23H25F6N7O2 and a molecular weight of 545.49 g/mol. Its IUPAC name is 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
PubChem CID170152038
Molecular FormulaC23H25F6N7O2
Molecular Weight545.49 g/mol
Exact Mass545.20
IUPAC Name5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
SMILESCC(C(=O)NC1=NCC(C(C)(C)C(F)(F)F)=C1)c1ccc(-c2nn(C(C)C(F)(F)F)c(N)c2C(N)=O)nc1
InChIInChI=1S/C23H25F6N7O2/c1-10(20(38)34-15-7-13(9-33-15)21(3,4)23(27,28)29)12-5-6-14(32-8-12)17-16(19(31)37)18(30)36(35-17)11(2)22(24,25)26/h5-8,10-11H,9,30H2,1-4H3,(H2,31,37)(H,33,34,38)
InChIKeySKEXHROPHIBQBH-UHFFFAOYSA-N
XLogP3.90
TPSA141.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.49
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292128
2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide
CID 162485577
5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide
CID 162485684
5-amino-3-[4-[1-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-2-pyridinyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-2-pyridinyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163624177
5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292111
2-[4-[5-amino-4-cyano-1-(1,1,1-trifluoropropan-2-yl)pyrazol-3-yl]phenyl]propanoic acid
CID 162485531
2-[5-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-2-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 166820677
5-amino-3-[4-[2-oxo-2-[[3-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765656
5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164987148
5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163514089
5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765448
5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide
CID 163570570

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide (CID 170152038) is 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide is CC(C(=O)NC1=NCC(C(C)(C)C(F)(F)F)=C1)c1ccc(-c2nn(C(C)C(F)(F)F)c(N)c2C(N)=O)nc1.
What is the InChIKey of 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is SKEXHROPHIBQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6N7O2/c1-10(20(38)34-15-7-13(9-33-15)21(3,4)23(27,28)29)12-5-6-14(32-8-12)17-16(19(31)37)18(30)36(35-17)11(2)22(24,25)26/h5-8,10-11H,9,30H2,1-4H3,(H2,31,37)(H,33,34,38).
What are the key properties of 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 545.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 170152038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).