4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide

C26H24FN7O3 — CID 155146750

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOC3)cc21
InChIInChI=1S/C26H24FN7O3/c1-33-22-10-16(9-20(21(22)13-30-33)15-4-6-34-24(11-15)31-26(28)32-34)25(35)29-12-17-8-18(27)2-3-23(17)37-19-5-7-36-14-19/h2-4,6,8-11,13,19H,5,7,12,14H2,1H3,(H2,28,32)(H,29,35)
InChIKeyXKOCDWXHSCAIEV-UHFFFAOYSA-N
MW501.52 g/mol
LogP3.10
Rot. Bonds6

About 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide (PubChem CID 155146750) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide.

Molecular Properties

Compound Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide
PubChem CID155146750
Molecular FormulaC26H24FN7O3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOC3)cc21
InChIInChI=1S/C26H24FN7O3/c1-33-22-10-16(9-20(21(22)13-30-33)15-4-6-34-24(11-15)31-26(28)32-34)25(35)29-12-17-8-18(27)2-3-23(17)37-19-5-7-36-14-19/h2-4,6,8-11,13,19H,5,7,12,14H2,1H3,(H2,28,32)(H,29,35)
InChIKeyXKOCDWXHSCAIEV-UHFFFAOYSA-N
XLogP3.10
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
The IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide (CID 155146750) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide.
What is the SMILES notation for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
The canonical SMILES for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide is Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOC3)cc21.
What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
The InChIKey is XKOCDWXHSCAIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3/c1-33-22-10-16(9-20(21(22)13-30-33)15-4-6-34-24(11-15)31-26(28)32-34)25(35)29-12-17-8-18(27)2-3-23(17)37-19-5-7-36-14-19/h2-4,6,8-11,13,19H,5,7,12,14H2,1H3,(H2,28,32)(H,29,35).
What are the key properties of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 155146750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).