7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C23H25N9O — CID 130362810

IUPAC7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)n1nncc1-c1cc(-c2ccc3cnn(C4CCOCC4)c3c2)n2ncnc(N)c12
InChIInChI=1S/C23H25N9O/c1-14(2)30-21(12-26-29-30)18-10-20(32-22(18)23(24)25-13-28-32)15-3-4-16-11-27-31(19(16)9-15)17-5-7-33-8-6-17/h3-4,9-14,17H,5-8H2,1-2H3,(H2,24,25,28)
InChIKeyMSALPLRWHZIGIZ-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.52
Rot. Bonds4

About 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130362810) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130362810
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)n1nncc1-c1cc(-c2ccc3cnn(C4CCOCC4)c3c2)n2ncnc(N)c12
InChIInChI=1S/C23H25N9O/c1-14(2)30-21(12-26-29-30)18-10-20(32-22(18)23(24)25-13-28-32)15-3-4-16-11-27-31(19(16)9-15)17-5-7-33-8-6-17/h3-4,9-14,17H,5-8H2,1-2H3,(H2,24,25,28)
InChIKeyMSALPLRWHZIGIZ-UHFFFAOYSA-N
XLogP3.52
TPSA113.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 130362810) is 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)n1nncc1-c1cc(-c2ccc3cnn(C4CCOCC4)c3c2)n2ncnc(N)c12.
What is the InChIKey of 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MSALPLRWHZIGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-14(2)30-21(12-26-29-30)18-10-20(32-22(18)23(24)25-13-28-32)15-3-4-16-11-27-31(19(16)9-15)17-5-7-33-8-6-17/h3-4,9-14,17H,5-8H2,1-2H3,(H2,24,25,28).
What are the key properties of 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 443.52 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(oxan-4-yl)indazol-6-yl]-5-(3-propan-2-yltriazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 130362810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).