5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H26ClN7O — CID 11684098

IUPAC5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)CC1
InChIInChI=1S/C24H26ClN7O/c25-21-12-20(3-4-22(21)33-15-17-2-1-8-27-13-17)30-24-23-18(5-11-32(23)29-16-28-24)14-31-9-6-19(26)7-10-31/h1-5,8,11-13,16,19H,6-7,9-10,14-15,26H2,(H,28,29,30)
InChIKeyVTBGXVHIEWGJBV-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.02
Rot. Bonds7

About 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 11684098) has the molecular formula C24H26ClN7O and a molecular weight of 463.97 g/mol. Its IUPAC name is 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID11684098
Molecular FormulaC24H26ClN7O
Molecular Weight463.97 g/mol
Exact Mass463.19
IUPAC Name5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)CC1
InChIInChI=1S/C24H26ClN7O/c25-21-12-20(3-4-22(21)33-15-17-2-1-8-27-13-17)30-24-23-18(5-11-32(23)29-16-28-24)14-31-9-6-19(26)7-10-31/h1-5,8,11-13,16,19H,6-7,9-10,14-15,26H2,(H,28,29,30)
InChIKeyVTBGXVHIEWGJBV-UHFFFAOYSA-N
XLogP4.02
TPSA93.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 11684098) is 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)CC1.
What is the InChIKey of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is VTBGXVHIEWGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O/c25-21-12-20(3-4-22(21)33-15-17-2-1-8-27-13-17)30-24-23-18(5-11-32(23)29-16-28-24)14-31-9-6-19(26)7-10-31/h1-5,8,11-13,16,19H,6-7,9-10,14-15,26H2,(H,28,29,30).
What are the key properties of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 463.97 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 11684098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).