tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate

C27H30N6O5 — CID 174334228

IUPACtert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate
SMILESCOc1cc2nn(C3CCN(C(=O)OC(C)(C)C)CC3)cc2cc1NC(=O)c1coc(-c2ccncc2)n1
InChIInChI=1S/C27H30N6O5/c1-27(2,3)38-26(35)32-11-7-19(8-12-32)33-15-18-13-21(23(36-4)14-20(18)31-33)29-24(34)22-16-37-25(30-22)17-5-9-28-10-6-17/h5-6,9-10,13-16,19H,7-8,11-12H2,1-4H3,(H,29,34)
InChIKeyLGGYHYOLYPGKPW-UHFFFAOYSA-N
MW518.57 g/mol
LogP4.92
Rot. Bonds5

About tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate (PubChem CID 174334228) has the molecular formula C27H30N6O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate
PubChem CID174334228
Molecular FormulaC27H30N6O5
Molecular Weight518.57 g/mol
Exact Mass518.23
IUPAC Nametert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate
SMILESCOc1cc2nn(C3CCN(C(=O)OC(C)(C)C)CC3)cc2cc1NC(=O)c1coc(-c2ccncc2)n1
InChIInChI=1S/C27H30N6O5/c1-27(2,3)38-26(35)32-11-7-19(8-12-32)33-15-18-13-21(23(36-4)14-20(18)31-33)29-24(34)22-16-37-25(30-22)17-5-9-28-10-6-17/h5-6,9-10,13-16,19H,7-8,11-12H2,1-4H3,(H,29,34)
InChIKeyLGGYHYOLYPGKPW-UHFFFAOYSA-N
XLogP4.92
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170240031
tert-butyl 4-[2-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 170051548
tert-butyl 4-[3-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]propyl]piperidine-1-carboxylate
CID 170051499
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyrimidine-4-carboxamide
CID 155448826
tert-butyl 4-[[9-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]-3-azaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate
CID 169081952
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
CID 174334214
N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 176724064
CID 175632841
CID 175632841
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate
CID 166536702
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 170239920

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate (CID 174334228) is tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate is COc1cc2nn(C3CCN(C(=O)OC(C)(C)C)CC3)cc2cc1NC(=O)c1coc(-c2ccncc2)n1.
What is the InChIKey of tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate?
The InChIKey is LGGYHYOLYPGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5/c1-27(2,3)38-26(35)32-11-7-19(8-12-32)33-15-18-13-21(23(36-4)14-20(18)31-33)29-24(34)22-16-37-25(30-22)17-5-9-28-10-6-17/h5-6,9-10,13-16,19H,7-8,11-12H2,1-4H3,(H,29,34).
What are the key properties of tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate has a molecular weight of 518.57 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 174334228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).