7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C33H29F5N6O4 — CID 59462505

IUPAC7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12
InChIInChI=1S/C33H29F5N6O4/c1-16-19-8-10-25(21(19)7-6-20(16)32(48)43-11-3-4-27(43)17(2)45)42-31(47)28-13-26(41-29-24(35)15-40-44(28)29)30(46)39-14-18-5-9-23(34)22(12-18)33(36,37)38/h5-7,9,12-13,15,25,27H,3-4,8,10-11,14H2,1-2H3,(H,39,46)(H,42,47)/t25-,27+/m0/s1
InChIKeyBCWJJZXYMOCVBZ-AHKZPQOWSA-N
MW668.62 g/mol
LogP4.88
Rot. Bonds7

About 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462505) has the molecular formula C33H29F5N6O4 and a molecular weight of 668.62 g/mol. Its IUPAC name is 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59462505
Molecular FormulaC33H29F5N6O4
Molecular Weight668.62 g/mol
Exact Mass668.22
IUPAC Name7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12
InChIInChI=1S/C33H29F5N6O4/c1-16-19-8-10-25(21(19)7-6-20(16)32(48)43-11-3-4-27(43)17(2)45)42-31(47)28-13-26(41-29-24(35)15-40-44(28)29)30(46)39-14-18-5-9-23(34)22(12-18)33(36,37)38/h5-7,9,12-13,15,25,27H,3-4,8,10-11,14H2,1-2H3,(H,39,46)(H,42,47)/t25-,27+/m0/s1
InChIKeyBCWJJZXYMOCVBZ-AHKZPQOWSA-N
XLogP4.88
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.62
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462505) is 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.
What is the InChIKey of 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is BCWJJZXYMOCVBZ-AHKZPQOWSA-N. The full InChI is InChI=1S/C33H29F5N6O4/c1-16-19-8-10-25(21(19)7-6-20(16)32(48)43-11-3-4-27(43)17(2)45)42-31(47)28-13-26(41-29-24(35)15-40-44(28)29)30(46)39-14-18-5-9-23(34)22(12-18)33(36,37)38/h5-7,9,12-13,15,25,27H,3-4,8,10-11,14H2,1-2H3,(H,39,46)(H,42,47)/t25-,27+/m0/s1.
What are the key properties of 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 668.62 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1S)-5-[(2R)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).