4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide

C26H34N8O2 — CID 139366053

About 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 139366053) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 139366053
• Molecular Formula: C26H34N8O2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.28
• IUPAC Name: 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CCNC(=O)N1CC=C(c2nc(Nc3ccc4c(cnn4C4CCCCO4)c3C3CC3)n(C)n2)CC1
• InChI: InChI=1S/C26H34N8O2/c1-3-27-26(35)33-13-11-18(12-14-33)24-30-25(32(2)31-24)29-20-9-10-21-19(23(20)17-7-8-17)16-28-34(21)22-6-4-5-15-36-22/h9-11,16-17,22H,3-8,12-15H2,1-2H3,(H,27,35)(H,29,30,31)
• InChIKey: ZPTBYLCMAMIJSP-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 102.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 139366053) is 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide is CCNC(=O)N1CC=C(c2nc(Nc3ccc4c(cnn4C4CCCCO4)c3C3CC3)n(C)n2)CC1.

What is the InChIKey of 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is ZPTBYLCMAMIJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-3-27-26(35)33-13-11-18(12-14-33)24-30-25(32(2)31-24)29-20-9-10-21-19(23(20)17-7-8-17)16-28-34(21)22-6-4-5-15-36-22/h9-11,16-17,22H,3-8,12-15H2,1-2H3,(H,27,35)(H,29,30,31).

What are the key properties of 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide?

4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 139366053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).