4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide

C21H21N7O — CID 126499983

IUPAC4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cccc(-c2nc(Nc3ccncc3C(=O)NC(C)C)c3cccn3n2)n1
InChIInChI=1S/C21H21N7O/c1-13(2)23-21(29)15-12-22-10-9-16(15)25-20-18-8-5-11-28(18)27-19(26-20)17-7-4-6-14(3)24-17/h4-13H,1-3H3,(H,23,29)(H,22,25,26,27)
InChIKeyRATPGIXIMZJDLJ-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.38
Rot. Bonds5

About 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide

4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 126499983) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID126499983
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cccc(-c2nc(Nc3ccncc3C(=O)NC(C)C)c3cccn3n2)n1
InChIInChI=1S/C21H21N7O/c1-13(2)23-21(29)15-12-22-10-9-16(15)25-20-18-8-5-11-28(18)27-19(26-20)17-7-4-6-14(3)24-17/h4-13H,1-3H3,(H,23,29)(H,22,25,26,27)
InChIKeyRATPGIXIMZJDLJ-UHFFFAOYSA-N
XLogP3.38
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide (CID 126499983) is 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide is Cc1cccc(-c2nc(Nc3ccncc3C(=O)NC(C)C)c3cccn3n2)n1.
What is the InChIKey of 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RATPGIXIMZJDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13(2)23-21(29)15-12-22-10-9-16(15)25-20-18-8-5-11-28(18)27-19(26-20)17-7-4-6-14(3)24-17/h4-13H,1-3H3,(H,23,29)(H,22,25,26,27).
What are the key properties of 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide?
4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 126499983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).