ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate

C25H38N4O6 — CID 155702351

IUPACethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)C1=CN2N=C(C3CCN(C(=O)OC(C)(C)C)CC3)CC2C=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C25H38N4O6/c1-8-33-21(30)18-15-29-17(14-20(18)26-22(31)34-24(2,3)4)13-19(27-29)16-9-11-28(12-10-16)23(32)35-25(5,6)7/h14-17H,8-13H2,1-7H3,(H,26,31)
InChIKeyBADPTJSDCVJSGV-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.93
Rot. Bonds4

About ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate

ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 155702351) has the molecular formula C25H38N4O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID155702351
Molecular FormulaC25H38N4O6
Molecular Weight490.60 g/mol
Exact Mass490.28
IUPAC Nameethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)C1=CN2N=C(C3CCN(C(=O)OC(C)(C)C)CC3)CC2C=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C25H38N4O6/c1-8-33-21(30)18-15-29-17(14-20(18)26-22(31)34-24(2,3)4)13-19(27-29)16-9-11-28(12-10-16)23(32)35-25(5,6)7/h14-17H,8-13H2,1-7H3,(H,26,31)
InChIKeyBADPTJSDCVJSGV-UHFFFAOYSA-N
XLogP3.93
TPSA109.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate with MolForge

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Related Compounds

ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155167042
tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
CID 86702006
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
tert-butyl 4-(5-chloro-3-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
CID 178075880
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 23131099
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
ethyl 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 171074856
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 177168423
ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-benzimidazole-2-carboxylate
CID 118998293
tert-butyl 4-[(4-ethoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 46743132
ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 118378622
tert-butyl 4-[2-(ethoxycarbonylamino)-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 70644364

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate (CID 155702351) is ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)C1=CN2N=C(C3CCN(C(=O)OC(C)(C)C)CC3)CC2C=C1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is BADPTJSDCVJSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O6/c1-8-33-21(30)18-15-29-17(14-20(18)26-22(31)34-24(2,3)4)13-19(27-29)16-9-11-28(12-10-16)23(32)35-25(5,6)7/h14-17H,8-13H2,1-7H3,(H,26,31).
What are the key properties of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate?
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 155702351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).