4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C18H22N8O — CID 170982452

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 170982452) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
• PubChem CID: 170982452
• Molecular Formula: C18H22N8O
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.19
• IUPAC Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
• SMILES: CNC(=O)c1cc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)nn2c1
• InChI: InChI=1S/C18H22N8O/c1-19-17(27)12-8-14-16(20-15-9-13(22-23-15)11-4-5-11)21-18(24-26(14)10-12)25-6-2-3-7-25/h8-11H,2-7H2,1H3,(H,19,27)(H2,20,21,22,23,24)
• InChIKey: RVOUIZBIJXWWDP-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 103.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?

The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 170982452) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?

The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is CNC(=O)c1cc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)nn2c1.

What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?

The InChIKey is RVOUIZBIJXWWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-19-17(27)12-8-14-16(20-15-9-13(22-23-15)11-4-5-11)21-18(24-26(14)10-12)25-6-2-3-7-25/h8-11H,2-7H2,1H3,(H,19,27)(H2,20,21,22,23,24).

What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 170982452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).