6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile

C25H24FN7O — CID 169225496

IUPAC6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cc(F)ccc2Oc2nncnc2N2CC3(CCNCC3)C2)c(C2CC2)n1
InChIInChI=1S/C25H24FN7O/c26-17-3-6-21(20(11-17)19-5-4-18(12-27)31-22(19)16-1-2-16)34-24-23(29-15-30-32-24)33-13-25(14-33)7-9-28-10-8-25/h3-6,11,15-16,28H,1-2,7-10,13-14H2
InChIKeyAWTSAXFAORDRRB-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.80
Rot. Bonds5

About 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile

6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile (PubChem CID 169225496) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile
PubChem CID169225496
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cc(F)ccc2Oc2nncnc2N2CC3(CCNCC3)C2)c(C2CC2)n1
InChIInChI=1S/C25H24FN7O/c26-17-3-6-21(20(11-17)19-5-4-18(12-27)31-22(19)16-1-2-16)34-24-23(29-15-30-32-24)33-13-25(14-33)7-9-28-10-8-25/h3-6,11,15-16,28H,1-2,7-10,13-14H2
InChIKeyAWTSAXFAORDRRB-UHFFFAOYSA-N
XLogP3.80
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile 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

(4S)-4-[7-[6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.4]octan-2-yl]-5-methylhexanamide
CID 156531790
(*S)-4-(6-(6-(2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy)-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octan-2-yl)-N,5-dimethylhexanamide
CID 156531791
(*R)-4-(6-(6-(2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy)-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octan-2-yl)-N,5-dimethylhexanamide
CID 156531793
(5R)-5-[7-[6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.4]octan-2-yl]-2,6-dimethylheptan-2-amine
CID 156531812
(5S)-5-[7-[6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.4]octan-2-yl]-2,6-dimethylheptan-2-amine
CID 156531906
(*R)-4-(6-(6-(2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy)-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octan-2-yl)-5-methylhexanamido
CID 168720908
6-[4-[[2-[6-[4-Fluoro-2-(2-fluoro-3-hydroxycyclohexen-1-yl)phenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 176897741
6-[4-[[2-[6-[2-(3,6-dihydro-2H-pyran-4-yl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 178422993
6-[4-[[2-[6-[4-Fluoro-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 178422997
2-[5-[4-Fluoro-2-(4-propan-2-ylpyrimidin-5-yl)phenoxy]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane
CID 132223318
5-[2-(2-Cyclopropyl-3-pyridinyl)-4-fluorophenoxy]-4-piperazin-1-ylpyrimidine
CID 132223323
tert-butyl N-[5-[7-[6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.4]octan-2-yl]-2,5,6-trimethylheptan-2-yl]carbamate
CID 156531417

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile?
The IUPAC name of 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile (CID 169225496) is 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cc(F)ccc2Oc2nncnc2N2CC3(CCNCC3)C2)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile?
The InChIKey is AWTSAXFAORDRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c26-17-3-6-21(20(11-17)19-5-4-18(12-27)31-22(19)16-1-2-16)34-24-23(29-15-30-32-24)33-13-25(14-33)7-9-28-10-8-25/h3-6,11,15-16,28H,1-2,7-10,13-14H2.
What are the key properties of 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile?
6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile has a molecular weight of 457.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 169225496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).