5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C29H26FN7O3 — CID 59461315

IUPAC5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ccnn23)NO1
InChIInChI=1S/C29H26FN7O3/c1-15-12-18(4-8-22(15)30)14-31-28(38)24-13-25(37-26(34-24)10-11-32-37)29(39)35-23-9-7-19-16(2)20(5-6-21(19)23)27-33-17(3)40-36-27/h4-6,8,10-13,23H,3,7,9,14H2,1-2H3,(H,31,38)(H,33,36)(H,35,39)/t23-/m0/s1
InChIKeyUJPFMXIDYWEGGN-QHCPKHFHSA-N
MW539.57 g/mol
LogP3.59
Rot. Bonds6

About 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59461315) has the molecular formula C29H26FN7O3 and a molecular weight of 539.57 g/mol. Its IUPAC name is 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59461315
Molecular FormulaC29H26FN7O3
Molecular Weight539.57 g/mol
Exact Mass539.21
IUPAC Name5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ccnn23)NO1
InChIInChI=1S/C29H26FN7O3/c1-15-12-18(4-8-22(15)30)14-31-28(38)24-13-25(37-26(34-24)10-11-32-37)29(39)35-23-9-7-19-16(2)20(5-6-21(19)23)27-33-17(3)40-36-27/h4-6,8,10-13,23H,3,7,9,14H2,1-2H3,(H,31,38)(H,33,36)(H,35,39)/t23-/m0/s1
InChIKeyUJPFMXIDYWEGGN-QHCPKHFHSA-N
XLogP3.59
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.57
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]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 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59461315) is 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ccnn23)NO1.
What is the InChIKey of 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is UJPFMXIDYWEGGN-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H26FN7O3/c1-15-12-18(4-8-22(15)30)14-31-28(38)24-13-25(37-26(34-24)10-11-32-37)29(39)35-23-9-7-19-16(2)20(5-6-21(19)23)27-33-17(3)40-36-27/h4-6,8,10-13,23H,3,7,9,14H2,1-2H3,(H,31,38)(H,33,36)(H,35,39)/t23-/m0/s1.
What are the key properties of 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 539.57 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59461315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).