4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C22H25N7O3 — CID 137363237

IUPAC4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(-n2cnc(Nc3nc(N4CCCC4)c4cccn4n3)c2)cc(OC)c1OC
InChIInChI=1S/C22H25N7O3/c1-30-17-11-15(12-18(31-2)20(17)32-3)28-13-19(23-14-28)24-22-25-21(27-8-4-5-9-27)16-7-6-10-29(16)26-22/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,24,26)
InChIKeyRYNLUZHSLBJSQZ-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.28
Rot. Bonds7

About 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 137363237) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID137363237
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(-n2cnc(Nc3nc(N4CCCC4)c4cccn4n3)c2)cc(OC)c1OC
InChIInChI=1S/C22H25N7O3/c1-30-17-11-15(12-18(31-2)20(17)32-3)28-13-19(23-14-28)24-22-25-21(27-8-4-5-9-27)16-7-6-10-29(16)26-22/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,24,26)
InChIKeyRYNLUZHSLBJSQZ-UHFFFAOYSA-N
XLogP3.28
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 137363237) is 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1cc(-n2cnc(Nc3nc(N4CCCC4)c4cccn4n3)c2)cc(OC)c1OC.
What is the InChIKey of 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is RYNLUZHSLBJSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-30-17-11-15(12-18(31-2)20(17)32-3)28-13-19(23-14-28)24-22-25-21(27-8-4-5-9-27)16-7-6-10-29(16)26-22/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,24,26).
What are the key properties of 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 435.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 137363237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).