N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

C30H30N8O2 — CID 135247079

IUPACN-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
SMILESC[C@H](CNC(=O)N(C)C)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1
InChIInChI=1S/C30H30N8O2/c1-19(16-34-29(40)37(2)3)35-27(39)21-8-6-20(7-9-21)25-17-32-28-33-18-26(38(28)36-25)30(12-13-30)23-10-11-24-22(15-23)5-4-14-31-24/h4-11,14-15,17-19H,12-13,16H2,1-3H3,(H,34,40)(H,35,39)/t19-/m1/s1
InChIKeyLWBXFPLLSPGQCU-LJQANCHMSA-N
MW534.62 g/mol
LogP3.81
Rot. Bonds7

About N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide (PubChem CID 135247079) has the molecular formula C30H30N8O2 and a molecular weight of 534.62 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
PubChem CID135247079
Molecular FormulaC30H30N8O2
Molecular Weight534.62 g/mol
Exact Mass534.25
IUPAC NameN-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
SMILESC[C@H](CNC(=O)N(C)C)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1
InChIInChI=1S/C30H30N8O2/c1-19(16-34-29(40)37(2)3)35-27(39)21-8-6-20(7-9-21)25-17-32-28-33-18-26(38(28)36-25)30(12-13-30)23-10-11-24-22(15-23)5-4-14-31-24/h4-11,14-15,17-19H,12-13,16H2,1-3H3,(H,34,40)(H,35,39)/t19-/m1/s1
InChIKeyLWBXFPLLSPGQCU-LJQANCHMSA-N
XLogP3.81
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 70942199
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzamide
CID 24830782
3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide
CID 118467399
N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 67223806
6-[1-[2-(4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline
CID 25145811
(2R)-N,N-dimethyl-2-[4-[4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyrazol-1-yl]propanamide
CID 59216282
N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide
CID 24830298
N-[1-(azetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 74395988
N-[1-(2-methylcycloocta-1,5,7-trien-1-yl)ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 163613287
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
2-fluoro-N-(2-methoxypropyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 90999657
2-chloro-N-(1-pyridin-2-ylethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 59420971

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide (CID 135247079) is N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide is C[C@H](CNC(=O)N(C)C)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1.
What is the InChIKey of N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The InChIKey is LWBXFPLLSPGQCU-LJQANCHMSA-N. The full InChI is InChI=1S/C30H30N8O2/c1-19(16-34-29(40)37(2)3)35-27(39)21-8-6-20(7-9-21)25-17-32-28-33-18-26(38(28)36-25)30(12-13-30)23-10-11-24-22(15-23)5-4-14-31-24/h4-11,14-15,17-19H,12-13,16H2,1-3H3,(H,34,40)(H,35,39)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide has a molecular weight of 534.62 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dimethylcarbamoylamino)propan-2-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide is sourced from PubChem (CID 135247079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).