N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine

C26H24FN7O2S — CID 165134596

IUPACN-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine
SMILESCc1ccnc([C@H]2C[C@@H]2C2=NS(=O)(=O)c3ccc(NCc4cn5cc(C6CC6)cc(F)c5n4)cc3N2)n1
InChIInChI=1S/C26H24FN7O2S/c1-14-6-7-28-24(30-14)19-10-20(19)25-32-22-9-17(4-5-23(22)37(35,36)33-25)29-11-18-13-34-12-16(15-2-3-15)8-21(27)26(34)31-18/h4-9,12-13,15,19-20,29H,2-3,10-11H2,1H3,(H,32,33)/t19-,20-/m0/s1
InChIKeyUSGKCWXOLSQDKM-PMACEKPBSA-N
MW517.59 g/mol
LogP4.38
Rot. Bonds6

About N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine

N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine (PubChem CID 165134596) has the molecular formula C26H24FN7O2S and a molecular weight of 517.59 g/mol. Its IUPAC name is N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine.

Molecular Properties

Compound NameN-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine
PubChem CID165134596
Molecular FormulaC26H24FN7O2S
Molecular Weight517.59 g/mol
Exact Mass517.17
IUPAC NameN-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine
SMILESCc1ccnc([C@H]2C[C@@H]2C2=NS(=O)(=O)c3ccc(NCc4cn5cc(C6CC6)cc(F)c5n4)cc3N2)n1
InChIInChI=1S/C26H24FN7O2S/c1-14-6-7-28-24(30-14)19-10-20(19)25-32-22-9-17(4-5-23(22)37(35,36)33-25)29-11-18-13-34-12-16(15-2-3-15)8-21(27)26(34)31-18/h4-9,12-13,15,19-20,29H,2-3,10-11H2,1H3,(H,32,33)/t19-,20-/m0/s1
InChIKeyUSGKCWXOLSQDKM-PMACEKPBSA-N
XLogP4.38
TPSA113.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine with MolForge

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Related Compounds

6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 165134519
[4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid
CID 174172621
1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione
CID 170694160
N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine
CID 170694085
1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 170694148
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-(fluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 170774569
trans-(1S,2S)-N-[4-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-6-methylpyrimidin-2-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171473375
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132322
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-(difluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 170774641
2-(chloromethyl)-6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridine
CID 139487322
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165133320
trans-(1S,2S)-N-[4-[[6-cyclopropyl-8-(2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171473414

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine?
The IUPAC name of N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine (CID 165134596) is N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine.
What is the SMILES notation for N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine?
The canonical SMILES for N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine is Cc1ccnc([C@H]2C[C@@H]2C2=NS(=O)(=O)c3ccc(NCc4cn5cc(C6CC6)cc(F)c5n4)cc3N2)n1.
What is the InChIKey of N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine?
The InChIKey is USGKCWXOLSQDKM-PMACEKPBSA-N. The full InChI is InChI=1S/C26H24FN7O2S/c1-14-6-7-28-24(30-14)19-10-20(19)25-32-22-9-17(4-5-23(22)37(35,36)33-25)29-11-18-13-34-12-16(15-2-3-15)8-21(27)26(34)31-18/h4-9,12-13,15,19-20,29H,2-3,10-11H2,1H3,(H,32,33)/t19-,20-/m0/s1.
What are the key properties of N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine?
N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine has a molecular weight of 517.59 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine is sourced from PubChem (CID 165134596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).