4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine

C54H54F2N14O5 — CID 165053866

About 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine (PubChem CID 165053866) has the molecular formula C54H54F2N14O5 and a molecular weight of 1017.11 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine.

Molecular Properties

• Compound Name: 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine
• PubChem CID: 165053866
• Molecular Formula: C54H54F2N14O5
• Molecular Weight: 1017.11 g/mol
• Exact Mass: 1016.44
• IUPAC Name: 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine
• SMILES: Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCCC3)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.NCc1cc(F)ccc1OC1CCCC1
• InChI: InChI=1S/C27H26FN7O2.C15H12N6O2.C12H16FNO/c1-34-23-12-17(11-21(22(23)15-31-34)16-8-9-35-25(13-16)32-27(29)33-35)26(36)30-14-18-10-19(28)6-7-24(18)37-20-4-2-3-5-20;1-20-12-5-9(14(22)23)4-10(11(12)7-17-20)8-2-3-21-13(6-8)18-15(16)19-21;13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h6-13,15,20H,2-5,14H2,1H3,(H2,29,33)(H,30,36);2-7H,1H3,(H2,16,19)(H,22,23);5-7,11H,1-4,8,14H2
• InChIKey: QBYRREFLKXUVIN-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 258.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.11
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine?

The IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine (CID 165053866) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine.

What is the SMILES notation for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine?

The canonical SMILES for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine is Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCCC3)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.NCc1cc(F)ccc1OC1CCCC1.

What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine?

The InChIKey is QBYRREFLKXUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O2.C15H12N6O2.C12H16FNO/c1-34-23-12-17(11-21(22(23)15-31-34)16-8-9-35-25(13-16)32-27(29)33-35)26(36)30-14-18-10-19(28)6-7-24(18)37-20-4-2-3-5-20;1-20-12-5-9(14(22)23)4-10(11(12)7-17-20)8-2-3-21-13(6-8)18-15(16)19-21;13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h6-13,15,20H,2-5,14H2,1H3,(H2,29,33)(H,30,36);2-7H,1H3,(H2,16,19)(H,22,23);5-7,11H,1-4,8,14H2.

What are the key properties of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine?

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine has a molecular weight of 1017.11 g/mol, XLogP of 8.42, 11 rotatable bonds, 5 hydrogen bond donors, and 17 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-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;(2-cyclopentyloxy-5-fluorophenyl)methanamine is sourced from PubChem (CID 165053866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).