(1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one

C27H33FN6O2 — CID 172640711

IUPAC(1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one
SMILESCC1(CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2CN2C(=O)C[C@H]4C[C@H]42)C3)CC1
InChIInChI=1S/C27H33FN6O2/c1-26(4-5-26)14-32-8-6-27(7-9-32)15-33(16-27)24-25(31-30-17-29-24)36-22-3-2-20(28)10-19(22)13-34-21-11-18(21)12-23(34)35/h2-3,10,17-18,21H,4-9,11-16H2,1H3/t18-,21-/m1/s1
InChIKeyLRPNEYBAGFSHDQ-WIYYLYMNSA-N
MW492.60 g/mol
LogP3.63
Rot. Bonds7

About (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one

(1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one (PubChem CID 172640711) has the molecular formula C27H33FN6O2 and a molecular weight of 492.60 g/mol. Its IUPAC name is (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one
PubChem CID172640711
Molecular FormulaC27H33FN6O2
Molecular Weight492.60 g/mol
Exact Mass492.26
IUPAC Name(1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one
SMILESCC1(CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2CN2C(=O)C[C@H]4C[C@H]42)C3)CC1
InChIInChI=1S/C27H33FN6O2/c1-26(4-5-26)14-32-8-6-27(7-9-32)15-33(16-27)24-25(31-30-17-29-24)36-22-3-2-20(28)10-19(22)13-34-21-11-18(21)12-23(34)35/h2-3,10,17-18,21H,4-9,11-16H2,1H3/t18-,21-/m1/s1
InChIKeyLRPNEYBAGFSHDQ-WIYYLYMNSA-N
XLogP3.63
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one with MolForge

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Launch Full Analysis

Related Compounds

Bleximenib
CID 156498110
N-ethyl-5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 172640709
[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 172640712
2-[[5-[2-[(3R)-6-[2-cyanoethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 156497972
2-[[5-[2-[(3R)-6-[2-ethoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 156497982
(R)-N-ethyl-5-fluoro-N-isopropyl-2-((5-(2-(2-methyl-6-((2,2,2-trifluoroethyl)amino)hexan-3-yl)-2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl)oxy)benzamide
CID 156497985
N-ethyl-5-fluoro-2-[[5-[2-[(3R)-2-methyl-6-[methyl-[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]hexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 156497986
N-ethyl-5-fluoro-2-[[5-[2-[(3R)-6-[[(2R)-1-methoxypropan-2-yl]-methylamino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 156497987
(R)-N-ethyl-5-fluoro-N-isopropyl-2-((5-(2-(2-methyl-6-(methyl(2,2,2-trifluormethyl)amino)hexan-3-yl)-2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl)oxy)benzamide
CID 156497991
N-ethyl-5-fluoro-2-[[5-[2-[(3R)-6-[[(2R)-1-hydroxy-3-methoxypropan-2-yl]-methylamino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 156497996
2-[[5-[2-[(3R)-6-[[4-(dimethylamino)-4-oxobutan-2-yl]-methylamino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 156497999
N-ethyl-5-fluoro-2-[[5-[2-[(3R)-6-[(2-methoxy-2-methylpropyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 156498006

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one (CID 172640711) is (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one is CC1(CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2CN2C(=O)C[C@H]4C[C@H]42)C3)CC1.
What is the InChIKey of (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one?
The InChIKey is LRPNEYBAGFSHDQ-WIYYLYMNSA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-26(4-5-26)14-32-8-6-27(7-9-32)15-33(16-27)24-25(31-30-17-29-24)36-22-3-2-20(28)10-19(22)13-34-21-11-18(21)12-23(34)35/h2-3,10,17-18,21H,4-9,11-16H2,1H3/t18-,21-/m1/s1.
What are the key properties of (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one?
(1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one has a molecular weight of 492.60 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2-[[5-fluoro-2-[[5-[7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]oxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 172640711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).