N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide

C20H22N8O2 — CID 175982753

About N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide

N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide (PubChem CID 175982753) has the molecular formula C20H22N8O2 and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide
• PubChem CID: 175982753
• Molecular Formula: C20H22N8O2
• Molecular Weight: 407.46 g/mol
• Exact Mass: 407.19
• IUPAC Name: N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide
• SMILES: [2H]c1cc(-c2ccc3ncnn3c2)c2c(OC)n/c(=N\C3CC(C)(NC(C)=O)C3)[nH]n12
• InChI: InChI=1S/C20H22N8O2/c1-12(29)25-20(2)8-14(9-20)23-19-24-18(30-3)17-15(6-7-27(17)26-19)13-4-5-16-21-11-22-28(16)10-13/h4-7,10-11,14H,8-9H2,1-3H3,(H,23,26)(H,25,29)/i7D
• InChIKey: PXPGYCWCNINAOI-WHRKIXHSSA-N
• XLogP: 1.34
• TPSA: 113.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.46
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide?

The IUPAC name of N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide (CID 175982753) is N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide.

What is the SMILES notation for N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide?

The canonical SMILES for N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide is [2H]c1cc(-c2ccc3ncnn3c2)c2c(OC)n/c(=N\C3CC(C)(NC(C)=O)C3)[nH]n12.

What is the InChIKey of N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide?

The InChIKey is PXPGYCWCNINAOI-WHRKIXHSSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-12(29)25-20(2)8-14(9-20)23-19-24-18(30-3)17-15(6-7-27(17)26-19)13-4-5-16-21-11-22-28(16)10-13/h4-7,10-11,14H,8-9H2,1-3H3,(H,23,26)(H,25,29)/i7D.

What are the key properties of N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide?

N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide has a molecular weight of 407.46 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[7-deuterio-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-ylidene]amino]-1-methylcyclobutyl]acetamide is sourced from PubChem (CID 175982753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).