[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone

C27H26F2N6O2S — CID 170323231

IUPAC[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone
SMILESCn1nc(-c2cscn2)c(F)c1C(=O)N1C[C@@H]2C(Oc3cc(C(C)(C)N)cc(-c4ccc(F)cc4)n3)[C@@H]2C1
InChIInChI=1S/C27H26F2N6O2S/c1-27(2,30)15-8-19(14-4-6-16(28)7-5-14)32-21(9-15)37-25-17-10-35(11-18(17)25)26(36)24-22(29)23(33-34(24)3)20-12-38-13-31-20/h4-9,12-13,17-18,25H,10-11,30H2,1-3H3/t17-,18+,25?
InChIKeyNFLBCPVSIJTGOI-OXUKXLDXSA-N
MW536.61 g/mol
LogP4.23
Rot. Bonds6

About [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone

[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone (PubChem CID 170323231) has the molecular formula C27H26F2N6O2S and a molecular weight of 536.61 g/mol. Its IUPAC name is [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone
PubChem CID170323231
Molecular FormulaC27H26F2N6O2S
Molecular Weight536.61 g/mol
Exact Mass536.18
IUPAC Name[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone
SMILESCn1nc(-c2cscn2)c(F)c1C(=O)N1C[C@@H]2C(Oc3cc(C(C)(C)N)cc(-c4ccc(F)cc4)n3)[C@@H]2C1
InChIInChI=1S/C27H26F2N6O2S/c1-27(2,30)15-8-19(14-4-6-16(28)7-5-14)32-21(9-15)37-25-17-10-35(11-18(17)25)26(36)24-22(29)23(33-34(24)3)20-12-38-13-31-20/h4-9,12-13,17-18,25H,10-11,30H2,1-3H3/t17-,18+,25?
InChIKeyNFLBCPVSIJTGOI-OXUKXLDXSA-N
XLogP4.23
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone?
The IUPAC name of [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone (CID 170323231) is [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone.
What is the SMILES notation for [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone?
The canonical SMILES for [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone is Cn1nc(-c2cscn2)c(F)c1C(=O)N1C[C@@H]2C(Oc3cc(C(C)(C)N)cc(-c4ccc(F)cc4)n3)[C@@H]2C1.
What is the InChIKey of [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone?
The InChIKey is NFLBCPVSIJTGOI-OXUKXLDXSA-N. The full InChI is InChI=1S/C27H26F2N6O2S/c1-27(2,30)15-8-19(14-4-6-16(28)7-5-14)32-21(9-15)37-25-17-10-35(11-18(17)25)26(36)24-22(29)23(33-34(24)3)20-12-38-13-31-20/h4-9,12-13,17-18,25H,10-11,30H2,1-3H3/t17-,18+,25?.
What are the key properties of [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone?
[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone has a molecular weight of 536.61 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone is sourced from PubChem (CID 170323231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).