5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C26H20F4N10O3 — CID 59462432

IUPAC5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1nnnc1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)(F)F)c2)nc2ncnn12
InChIInChI=1S/C26H20F4N10O3/c1-39-22(36-37-38-39)15-3-5-16-14(9-15)4-7-18(16)34-24(42)20-10-19(35-25-32-12-33-40(20)25)23(41)31-11-13-2-6-17(27)21(8-13)43-26(28,29)30/h2-3,5-6,8-10,12,18H,4,7,11H2,1H3,(H,31,41)(H,34,42)/t18-/m0/s1
InChIKeyQRXHVNQDGUKTIV-SFHVURJKSA-N
MW596.51 g/mol
LogP2.70
Rot. Bonds7

About 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462432) has the molecular formula C26H20F4N10O3 and a molecular weight of 596.51 g/mol. Its IUPAC name is 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59462432
Molecular FormulaC26H20F4N10O3
Molecular Weight596.51 g/mol
Exact Mass596.17
IUPAC Name5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1nnnc1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)(F)F)c2)nc2ncnn12
InChIInChI=1S/C26H20F4N10O3/c1-39-22(36-37-38-39)15-3-5-16-14(9-15)4-7-18(16)34-24(42)20-10-19(35-25-32-12-33-40(20)25)23(41)31-11-13-2-6-17(27)21(8-13)43-26(28,29)30/h2-3,5-6,8-10,12,18H,4,7,11H2,1H3,(H,31,41)(H,34,42)/t18-/m0/s1
InChIKeyQRXHVNQDGUKTIV-SFHVURJKSA-N
XLogP2.70
TPSA154.11 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462432) is 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1nnnc1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)(F)F)c2)nc2ncnn12.
What is the InChIKey of 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is QRXHVNQDGUKTIV-SFHVURJKSA-N. The full InChI is InChI=1S/C26H20F4N10O3/c1-39-22(36-37-38-39)15-3-5-16-14(9-15)4-7-18(16)34-24(42)20-10-19(35-25-32-12-33-40(20)25)23(41)31-11-13-2-6-17(27)21(8-13)43-26(28,29)30/h2-3,5-6,8-10,12,18H,4,7,11H2,1H3,(H,31,41)(H,34,42)/t18-/m0/s1.
What are the key properties of 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 596.51 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7-N-[(1S)-5-(1-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).