N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

C25H28F2N6O — CID 170642499

IUPACN-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(NC2CCN(C3CC(F)(F)C3)CC2)nn2ccc(-c3ccc4c(c3)CCC=N4)c12
InChIInChI=1S/C25H28F2N6O/c1-34-23-22-20(16-4-5-21-17(13-16)3-2-9-28-21)8-12-33(22)31-24(30-23)29-18-6-10-32(11-7-18)19-14-25(26,27)15-19/h4-5,8-9,12-13,18-19H,2-3,6-7,10-11,14-15H2,1H3,(H,29,31)
InChIKeyZOPWNKZBQYUURW-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.73
Rot. Bonds5

About N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170642499) has the molecular formula C25H28F2N6O and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170642499
Molecular FormulaC25H28F2N6O
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(NC2CCN(C3CC(F)(F)C3)CC2)nn2ccc(-c3ccc4c(c3)CCC=N4)c12
InChIInChI=1S/C25H28F2N6O/c1-34-23-22-20(16-4-5-21-17(13-16)3-2-9-28-21)8-12-33(22)31-24(30-23)29-18-6-10-32(11-7-18)19-14-25(26,27)15-19/h4-5,8-9,12-13,18-19H,2-3,6-7,10-11,14-15H2,1H3,(H,29,31)
InChIKeyZOPWNKZBQYUURW-UHFFFAOYSA-N
XLogP4.73
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170642457
5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643351
1-[6-[[5-[3-(2,2-difluoroethyl)-2-methyl-3H-indol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-azaspiro[3.3]heptan-1-yl]ethanone
CID 170641870
4-[[4-methoxy-5-[3-(2,2,2-trifluoroethyl)benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 170657380
N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657515
3-[[4-methoxy-5-(3-methylbenzotriazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutan-1-ol
CID 170657492
4-methoxy-N-(7-oxaspiro[3.5]nonan-2-yl)-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642516
5-[3-(2,2-difluoroethyl)-2-methylbenzimidazol-5-yl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170641918
3-[[4-methoxy-5-[3-(2,2,2-trifluoroethyl)benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutan-1-ol
CID 170657407
N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-methoxy-5-[3-(2,2,2-trifluoroethyl)benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643000
5-[4-diazenyl-3-(2,2-difluoroethylamino)phenyl]-N-(4-ethyl-4-methylcyclohexyl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643237
3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine
CID 170657276

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170642499) is N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1nc(NC2CCN(C3CC(F)(F)C3)CC2)nn2ccc(-c3ccc4c(c3)CCC=N4)c12.
What is the InChIKey of N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is ZOPWNKZBQYUURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O/c1-34-23-22-20(16-4-5-21-17(13-16)3-2-9-28-21)8-12-33(22)31-24(30-23)29-18-6-10-32(11-7-18)19-14-25(26,27)15-19/h4-5,8-9,12-13,18-19H,2-3,6-7,10-11,14-15H2,1H3,(H,29,31).
What are the key properties of N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 466.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170642499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).