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

C23H26N8O — CID 118008677

IUPAC5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCN(Cc2ccn3ncnc(Nc4cccc(-c5noc(C6CC6)n5)c4)c23)CC1
InChIInChI=1S/C23H26N8O/c24-18-7-9-30(10-8-18)13-17-6-11-31-20(17)22(25-14-26-31)27-19-3-1-2-16(12-19)21-28-23(32-29-21)15-4-5-15/h1-3,6,11-12,14-15,18H,4-5,7-10,13,24H2,(H,25,26,27)
InChIKeyLSTMXQGNIXXERJ-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.32
Rot. Bonds6

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

5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118008677) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118008677
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCN(Cc2ccn3ncnc(Nc4cccc(-c5noc(C6CC6)n5)c4)c23)CC1
InChIInChI=1S/C23H26N8O/c24-18-7-9-30(10-8-18)13-17-6-11-31-20(17)22(25-14-26-31)27-19-3-1-2-16(12-19)21-28-23(32-29-21)15-4-5-15/h1-3,6,11-12,14-15,18H,4-5,7-10,13,24H2,(H,25,26,27)
InChIKeyLSTMXQGNIXXERJ-UHFFFAOYSA-N
XLogP3.32
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-ethylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 159290812
5-[[5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-fluorobenzonitrile
CID 68688745
5-[(4-ethylpiperidin-1-yl)methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 159196284
(3R,4S)-4-amino-1-[[4-(3-methylanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
CID 66953057
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(isoquinolin-1-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22055253
2-[[5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-(2-propan-2-yltetrazol-5-yl)phenol
CID 136950947
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22055289
5-[(3-aminopyrrolidin-1-yl)methyl]-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 20802917
5-[[(3S,4R)-4-amino-3-(sulfamoylamino)piperidin-1-yl]methyl]-4-(3-hydroxyanilino)pyrrolo[2,1-f][1,2,4]triazine
CID 70823928
(3S,5R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidine-3,5-diol
CID 11292048
[1-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]methanol
CID 10152127
N-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-5-[(4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 21031515

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118008677) is 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)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-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is NC1CCN(Cc2ccn3ncnc(Nc4cccc(-c5noc(C6CC6)n5)c4)c23)CC1.
What is the InChIKey of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LSTMXQGNIXXERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c24-18-7-9-30(10-8-18)13-17-6-11-31-20(17)22(25-14-26-31)27-19-3-1-2-16(12-19)21-28-23(32-29-21)15-4-5-15/h1-3,6,11-12,14-15,18H,4-5,7-10,13,24H2,(H,25,26,27).
What are the key properties of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 430.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118008677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).