4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide

C26H24FN7O2 — CID 155146679

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OCC3CC3)cc21
InChIInChI=1S/C26H24FN7O2/c1-33-22-10-17(25(35)29-12-18-8-19(27)4-5-23(18)36-14-15-2-3-15)9-20(21(22)13-30-33)16-6-7-34-24(11-16)31-26(28)32-34/h4-11,13,15H,2-3,12,14H2,1H3,(H2,28,32)(H,29,35)
InChIKeyOSAKMYLTVXEBET-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.72
Rot. Bonds7

About 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide (PubChem CID 155146679) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide.

Molecular Properties

Compound Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide
PubChem CID155146679
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OCC3CC3)cc21
InChIInChI=1S/C26H24FN7O2/c1-33-22-10-17(25(35)29-12-18-8-19(27)4-5-23(18)36-14-15-2-3-15)9-20(21(22)13-30-33)16-6-7-34-24(11-16)31-26(28)32-34/h4-11,13,15H,2-3,12,14H2,1H3,(H2,28,32)(H,29,35)
InChIKeyOSAKMYLTVXEBET-UHFFFAOYSA-N
XLogP3.72
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide?
The IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide (CID 155146679) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]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-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide?
The canonical SMILES for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide is Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OCC3CC3)cc21.
What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide?
The InChIKey is OSAKMYLTVXEBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-33-22-10-17(25(35)29-12-18-8-19(27)4-5-23(18)36-14-15-2-3-15)9-20(21(22)13-30-33)16-6-7-34-24(11-16)31-26(28)32-34/h4-11,13,15H,2-3,12,14H2,1H3,(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-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 155146679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).