N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C101H98N20O13 — CID 157330733

IUPACN-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCC1(CCC(=O)c2ccccc2OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CCC1.Cn1ccc(CC(=O)c2ccccc2OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)n1.O=C(NCC1(CO)CCCC1)c1ccccc1OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1.O=C(NCC1CCC1)c1ccccc1OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1
InChIInChI=1S/C27H28N4O3.C26H27N5O4.C24H20N6O3.C24H23N5O3/c1-2-27(14-8-15-27)16-13-22(32)21-11-6-7-12-23(21)34-18-20-17-24(33)31-26(28-20)29-25(30-31)19-9-4-3-5-10-19;32-17-26(12-6-7-13-26)16-27-24(34)20-10-4-5-11-21(20)35-15-19-14-22(33)31-25(28-19)29-23(30-31)18-8-2-1-3-9-18;1-29-12-11-17(27-29)13-20(31)19-9-5-6-10-21(19)33-15-18-14-22(32)30-24(25-18)26-23(28-30)16-7-3-2-4-8-16;30-21-13-18(26-24-27-22(28-29(21)24)17-9-2-1-3-10-17)15-32-20-12-5-4-11-19(20)23(31)25-14-16-7-6-8-16/h3-7,9-12,17H,2,8,13-16,18H2,1H3,(H,28,29,30);1-5,8-11,14,32H,6-7,12-13,15-17H2,(H,27,34)(H,28,29,30);2-12,14H,13,15H2,1H3,(H,25,26,28);1-5,9-13,16H,6-8,14-15H2,(H,25,31)(H,26,27,28)
InChIKeyBFGHVWPUPJSODX-UHFFFAOYSA-N
MW1800.02 g/mol
LogP14.17
Rot. Bonds31

About N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 157330733) has the molecular formula C101H98N20O13 and a molecular weight of 1800.02 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID157330733
Molecular FormulaC101H98N20O13
Molecular Weight1800.02 g/mol
Exact Mass1798.76
IUPAC NameN-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCC1(CCC(=O)c2ccccc2OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CCC1.Cn1ccc(CC(=O)c2ccccc2OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)n1.O=C(NCC1(CO)CCCC1)c1ccccc1OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1.O=C(NCC1CCC1)c1ccccc1OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1
InChIInChI=1S/C27H28N4O3.C26H27N5O4.C24H20N6O3.C24H23N5O3/c1-2-27(14-8-15-27)16-13-22(32)21-11-6-7-12-23(21)34-18-20-17-24(33)31-26(28-20)29-25(30-31)19-9-4-3-5-10-19;32-17-26(12-6-7-13-26)16-27-24(34)20-10-4-5-11-21(20)35-15-19-14-22(33)31-25(28-19)29-23(30-31)18-8-2-1-3-9-18;1-29-12-11-17(27-29)13-20(31)19-9-5-6-10-21(19)33-15-18-14-22(32)30-24(25-18)26-23(28-30)16-7-3-2-4-8-16;30-21-13-18(26-24-27-22(28-29(21)24)17-9-2-1-3-10-17)15-32-20-12-5-4-11-19(20)23(31)25-14-16-7-6-8-16/h3-7,9-12,17H,2,8,13-16,18H2,1H3,(H,28,29,30);1-5,8-11,14,32H,6-7,12-13,15-17H2,(H,27,34)(H,28,29,30);2-12,14H,13,15H2,1H3,(H,25,26,28);1-5,9-13,16H,6-8,14-15H2,(H,25,31)(H,26,27,28)
InChIKeyBFGHVWPUPJSODX-UHFFFAOYSA-N
XLogP14.17
TPSA419.51 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001800.02
LogP ≤ 514.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 157330733) is N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCC1(CCC(=O)c2ccccc2OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CCC1.Cn1ccc(CC(=O)c2ccccc2OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)n1.O=C(NCC1(CO)CCCC1)c1ccccc1OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1.O=C(NCC1CCC1)c1ccccc1OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BFGHVWPUPJSODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3.C26H27N5O4.C24H20N6O3.C24H23N5O3/c1-2-27(14-8-15-27)16-13-22(32)21-11-6-7-12-23(21)34-18-20-17-24(33)31-26(28-20)29-25(30-31)19-9-4-3-5-10-19;32-17-26(12-6-7-13-26)16-27-24(34)20-10-4-5-11-21(20)35-15-19-14-22(33)31-25(28-19)29-23(30-31)18-8-2-1-3-9-18;1-29-12-11-17(27-29)13-20(31)19-9-5-6-10-21(19)33-15-18-14-22(32)30-24(25-18)26-23(28-30)16-7-3-2-4-8-16;30-21-13-18(26-24-27-22(28-29(21)24)17-9-2-1-3-10-17)15-32-20-12-5-4-11-19(20)23(31)25-14-16-7-6-8-16/h3-7,9-12,17H,2,8,13-16,18H2,1H3,(H,28,29,30);1-5,8-11,14,32H,6-7,12-13,15-17H2,(H,27,34)(H,28,29,30);2-12,14H,13,15H2,1H3,(H,25,26,28);1-5,9-13,16H,6-8,14-15H2,(H,25,31)(H,26,27,28).
What are the key properties of N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 1800.02 g/mol, XLogP of 14.17, 31 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide;5-[[2-[2-(1-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 157330733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).