2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol

C18H19N7O — CID 155893903

IUPAC2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cc3c(Nc4ccncc4)ncnn3c2)cn1
InChIInChI=1S/C18H19N7O/c1-18(2,26)11-24-9-14(8-21-24)13-7-16-17(20-12-22-25(16)10-13)23-15-3-5-19-6-4-15/h3-10,12,26H,11H2,1-2H3,(H,19,20,22,23)
InChIKeyQJGYAMMXZANLNC-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.50
Rot. Bonds5

About 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 155893903) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol
PubChem CID155893903
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cc3c(Nc4ccncc4)ncnn3c2)cn1
InChIInChI=1S/C18H19N7O/c1-18(2,26)11-24-9-14(8-21-24)13-7-16-17(20-12-22-25(16)10-13)23-15-3-5-19-6-4-15/h3-10,12,26H,11H2,1-2H3,(H,19,20,22,23)
InChIKeyQJGYAMMXZANLNC-UHFFFAOYSA-N
XLogP2.50
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol (CID 155893903) is 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol is CC(C)(O)Cn1cc(-c2cc3c(Nc4ccncc4)ncnn3c2)cn1.
What is the InChIKey of 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is QJGYAMMXZANLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-18(2,26)11-24-9-14(8-21-24)13-7-16-17(20-12-22-25(16)10-13)23-15-3-5-19-6-4-15/h3-10,12,26H,11H2,1-2H3,(H,19,20,22,23).
What are the key properties of 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 349.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 155893903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).