N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine

C25H35FN6O — CID 137019945

IUPACN-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCCCNC1=NCc2c(-c3ccc(N4CCOCC4)c(F)c3)nn(C3CCCCC3)c2N1
InChIInChI=1S/C25H35FN6O/c1-2-3-11-27-25-28-17-20-23(30-32(24(20)29-25)19-7-5-4-6-8-19)18-9-10-22(21(26)16-18)31-12-14-33-15-13-31/h9-10,16,19H,2-8,11-15,17H2,1H3,(H2,27,28,29)
InChIKeyXJFFWLBUMJQRKJ-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.70
Rot. Bonds6

About N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine

N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 137019945) has the molecular formula C25H35FN6O and a molecular weight of 454.59 g/mol. Its IUPAC name is N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID137019945
Molecular FormulaC25H35FN6O
Molecular Weight454.59 g/mol
Exact Mass454.29
IUPAC NameN-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCCCNC1=NCc2c(-c3ccc(N4CCOCC4)c(F)c3)nn(C3CCCCC3)c2N1
InChIInChI=1S/C25H35FN6O/c1-2-3-11-27-25-28-17-20-23(30-32(24(20)29-25)19-7-5-4-6-8-19)18-9-10-22(21(26)16-18)31-12-14-33-15-13-31/h9-10,16,19H,2-8,11-15,17H2,1H3,(H2,27,28,29)
InChIKeyXJFFWLBUMJQRKJ-UHFFFAOYSA-N
XLogP4.70
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 144944042
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
N-butyl-4-[4-[2-(4-fluorophenyl)sulfanylpropan-2-yl]-6-(1,3-oxazolidin-3-yl)pyrimidin-2-yl]aniline
CID 143633035
4-[2-fluoro-4-(4-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine
CID 118668772
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
N-butyl-4-morpholin-4-ylaniline
CID 28675754
[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117445862
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-4-morpholin-4-ylaniline;1-methylpiperidine-4-carbaldehyde
CID 160755864
N-[[3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
CID 69039024
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
(2S)-N-(3-fluoro-4-morpholin-4-ylphenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 25188709
1-cyclopentyl-3-ethyl-2-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]guanidine
CID 110992219

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine (CID 137019945) is N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine is CCCCNC1=NCc2c(-c3ccc(N4CCOCC4)c(F)c3)nn(C3CCCCC3)c2N1.
What is the InChIKey of N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is XJFFWLBUMJQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN6O/c1-2-3-11-27-25-28-17-20-23(30-32(24(20)29-25)19-7-5-4-6-8-19)18-9-10-22(21(26)16-18)31-12-14-33-15-13-31/h9-10,16,19H,2-8,11-15,17H2,1H3,(H2,27,28,29).
What are the key properties of N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine?
N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 454.59 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 137019945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).