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

C27H26FN7O3 — CID 155146721

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOCC3)cc21
InChIInChI=1S/C27H26FN7O3/c1-34-23-12-17(11-21(22(23)15-31-34)16-4-7-35-25(13-16)32-27(29)33-35)26(36)30-14-18-10-19(28)2-3-24(18)38-20-5-8-37-9-6-20/h2-4,7,10-13,15,20H,5-6,8-9,14H2,1H3,(H2,29,33)(H,30,36)
InChIKeyWPEOWHXHFFZCRK-UHFFFAOYSA-N
MW515.55 g/mol
LogP3.49
Rot. Bonds6

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

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide (PubChem CID 155146721) has the molecular formula C27H26FN7O3 and a molecular weight of 515.55 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-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-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide
PubChem CID155146721
Molecular FormulaC27H26FN7O3
Molecular Weight515.55 g/mol
Exact Mass515.21
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOCC3)cc21
InChIInChI=1S/C27H26FN7O3/c1-34-23-12-17(11-21(22(23)15-31-34)16-4-7-35-25(13-16)32-27(29)33-35)26(36)30-14-18-10-19(28)2-3-24(18)38-20-5-8-37-9-6-20/h2-4,7,10-13,15,20H,5-6,8-9,14H2,1H3,(H2,29,33)(H,30,36)
InChIKeyWPEOWHXHFFZCRK-UHFFFAOYSA-N
XLogP3.49
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 53.49
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-(oxan-4-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-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide (CID 155146721) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-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-(oxan-4-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-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide is Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOCC3)cc21.
What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
The InChIKey is WPEOWHXHFFZCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O3/c1-34-23-12-17(11-21(22(23)15-31-34)16-4-7-35-25(13-16)32-27(29)33-35)26(36)30-14-18-10-19(28)2-3-24(18)38-20-5-8-37-9-6-20/h2-4,7,10-13,15,20H,5-6,8-9,14H2,1H3,(H2,29,33)(H,30,36).
What are the key properties of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 3.49, 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-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 155146721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).