N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide

C23H25F3N6O3 — CID 144910447

IUPACN-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide
SMILESCc1ccc(-c2cc3n(n2)[C@@H](C)CN(CC(=O)N(C)CCC#N)C3=O)c(NC(=O)CC(F)(F)F)c1
InChIInChI=1S/C23H25F3N6O3/c1-14-5-6-16(17(9-14)28-20(33)11-23(24,25)26)18-10-19-22(35)31(12-15(2)32(19)29-18)13-21(34)30(3)8-4-7-27/h5-6,9-10,15H,4,8,11-13H2,1-3H3,(H,28,33)/t15-/m0/s1
InChIKeyREHVTRSKYUNEGZ-HNNXBMFYSA-N
MW490.49 g/mol
LogP3.14
Rot. Bonds7

About N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide

N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide (PubChem CID 144910447) has the molecular formula C23H25F3N6O3 and a molecular weight of 490.49 g/mol. Its IUPAC name is N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide
PubChem CID144910447
Molecular FormulaC23H25F3N6O3
Molecular Weight490.49 g/mol
Exact Mass490.19
IUPAC NameN-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide
SMILESCc1ccc(-c2cc3n(n2)[C@@H](C)CN(CC(=O)N(C)CCC#N)C3=O)c(NC(=O)CC(F)(F)F)c1
InChIInChI=1S/C23H25F3N6O3/c1-14-5-6-16(17(9-14)28-20(33)11-23(24,25)26)18-10-19-22(35)31(12-15(2)32(19)29-18)13-21(34)30(3)8-4-7-27/h5-6,9-10,15H,4,8,11-13H2,1-3H3,(H,28,33)/t15-/m0/s1
InChIKeyREHVTRSKYUNEGZ-HNNXBMFYSA-N
XLogP3.14
TPSA111.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide (CID 144910447) is N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide is Cc1ccc(-c2cc3n(n2)[C@@H](C)CN(CC(=O)N(C)CCC#N)C3=O)c(NC(=O)CC(F)(F)F)c1.
What is the InChIKey of N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide?
The InChIKey is REHVTRSKYUNEGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25F3N6O3/c1-14-5-6-16(17(9-14)28-20(33)11-23(24,25)26)18-10-19-22(35)31(12-15(2)32(19)29-18)13-21(34)30(3)8-4-7-27/h5-6,9-10,15H,4,8,11-13H2,1-3H3,(H,28,33)/t15-/m0/s1.
What are the key properties of N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide?
N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide has a molecular weight of 490.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 144910447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).