tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate

C29H36FN7O3 — CID 167500460

IUPACtert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
SMILESCc1cn2cc(NC(=O)c3ccc(N4C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C4)c4c3N=NCC4C)cc(F)c2n1
InChIInChI=1S/C29H36FN7O3/c1-16-11-31-34-25-21(27(38)33-20-10-22(30)26-32-17(2)12-36(26)15-20)8-9-23(24(16)25)35-13-18(3)37(19(4)14-35)28(39)40-29(5,6)7/h8-10,12,15-16,18-19H,11,13-14H2,1-7H3,(H,33,38)/t16?,18-,19+
InChIKeyMNCATCMDVDLBPG-JLYLLQBASA-N
MW549.65 g/mol
LogP6.07
Rot. Bonds3

About tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate

tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 167500460) has the molecular formula C29H36FN7O3 and a molecular weight of 549.65 g/mol. Its IUPAC name is tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
PubChem CID167500460
Molecular FormulaC29H36FN7O3
Molecular Weight549.65 g/mol
Exact Mass549.29
IUPAC Nametert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
SMILESCc1cn2cc(NC(=O)c3ccc(N4C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C4)c4c3N=NCC4C)cc(F)c2n1
InChIInChI=1S/C29H36FN7O3/c1-16-11-31-34-25-21(27(38)33-20-10-22(30)26-32-17(2)12-36(26)15-20)8-9-23(24(16)25)35-13-18(3)37(19(4)14-35)28(39)40-29(5,6)7/h8-10,12,15-16,18-19H,11,13-14H2,1-7H3,(H,33,38)/t16?,18-,19+
InChIKeyMNCATCMDVDLBPG-JLYLLQBASA-N
XLogP6.07
TPSA103.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate 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

tert-butyl (2S,6R)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 167500627
tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]cinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 167500543
tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 175586868
tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 175586818
tert-butyl (2S)-4-[(3R)-1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 175593458
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593388
tert-butyl (2S,6R)-4-[4-chloro-3-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)amino]-1-methylindazol-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 176566502
tert-butyl 4-[3-amino-4-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methanimidoylphenyl]piperazine-1-carboxylate
CID 176741539
8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
CID 167500756
tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane
CID 172601532
tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593444
tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate
CID 168758640

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate (CID 167500460) is tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate is Cc1cn2cc(NC(=O)c3ccc(N4C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C4)c4c3N=NCC4C)cc(F)c2n1.
What is the InChIKey of tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is MNCATCMDVDLBPG-JLYLLQBASA-N. The full InChI is InChI=1S/C29H36FN7O3/c1-16-11-31-34-25-21(27(38)33-20-10-22(30)26-32-17(2)12-36(26)15-20)8-9-23(24(16)25)35-13-18(3)37(19(4)14-35)28(39)40-29(5,6)7/h8-10,12,15-16,18-19H,11,13-14H2,1-7H3,(H,33,38)/t16?,18-,19+.
What are the key properties of tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?
tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 549.65 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 167500460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).