tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate

C29H36N6O5 — CID 67990371

IUPACtert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc2c1
InChIInChI=1S/C29H36N6O5/c1-29(2,3)40-28(37)33-11-6-7-20(18-33)19-35-24-9-5-8-23(22(24)16-31-35)32-27(36)25-17-30-26-15-21(10-12-34(25)26)39-14-13-38-4/h5,8-10,12,15-17,20H,6-7,11,13-14,18-19H2,1-4H3,(H,32,36)/t20-/m1/s1
InChIKeyGIRKIFGOEARKEH-HXUWFJFHSA-N
MW548.64 g/mol
LogP4.61
Rot. Bonds8

About tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 67990371) has the molecular formula C29H36N6O5 and a molecular weight of 548.64 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate
PubChem CID67990371
Molecular FormulaC29H36N6O5
Molecular Weight548.64 g/mol
Exact Mass548.27
IUPAC Nametert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc2c1
InChIInChI=1S/C29H36N6O5/c1-29(2,3)40-28(37)33-11-6-7-20(18-33)19-35-24-9-5-8-23(22(24)16-31-35)32-27(36)25-17-30-26-15-21(10-12-34(25)26)39-14-13-38-4/h5,8-10,12,15-17,20H,6-7,11,13-14,18-19H2,1-4H3,(H,32,36)/t20-/m1/s1
InChIKeyGIRKIFGOEARKEH-HXUWFJFHSA-N
XLogP4.61
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.64
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67976330
2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid
CID 67976926
tert-butyl 4-[2-[3-[[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]piperazine-1-carboxylate
CID 57386649
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
tert-butyl 3-[(2,6-difluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902536
tert-butyl 3-(imidazo[1,2-a]pyridin-5-ylmethyl)piperidine-1-carboxylate
CID 142415431
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 86329315
tert-butyl 3-[(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 118519835
N-(1-benzylindazol-4-yl)-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide
CID 67976961
tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate
CID 171838639
N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 57384599

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate (CID 67990371) is tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate is COCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc2c1.
What is the InChIKey of tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is GIRKIFGOEARKEH-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H36N6O5/c1-29(2,3)40-28(37)33-11-6-7-20(18-33)19-35-24-9-5-8-23(22(24)16-31-35)32-27(36)25-17-30-26-15-21(10-12-34(25)26)39-14-13-38-4/h5,8-10,12,15-17,20H,6-7,11,13-14,18-19H2,1-4H3,(H,32,36)/t20-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 548.64 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67990371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).