ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C28H40N4O4 — CID 126743225

IUPACethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C(C)C)nn(C3CCCCC3)c2n1
InChIInChI=1S/C28H40N4O4/c1-7-35-26(33)22-17-21(19-13-15-31(16-14-19)27(34)36-28(4,5)6)23-24(18(2)3)30-32(25(23)29-22)20-11-9-8-10-12-20/h13,17-18,20H,7-12,14-16H2,1-6H3
InChIKeyYOYOPVAIPAVYEP-UHFFFAOYSA-N
MW496.65 g/mol
LogP6.26
Rot. Bonds5

About ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126743225) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126743225
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC Nameethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C(C)C)nn(C3CCCCC3)c2n1
InChIInChI=1S/C28H40N4O4/c1-7-35-26(33)22-17-21(19-13-15-31(16-14-19)27(34)36-28(4,5)6)23-24(18(2)3)30-32(25(23)29-22)20-11-9-8-10-12-20/h13,17-18,20H,7-12,14-16H2,1-6H3
InChIKeyYOYOPVAIPAVYEP-UHFFFAOYSA-N
XLogP6.26
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-cyclohexyl-4-piperidin-1-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743808
ethyl 1-cyclohexyl-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743457
ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743190
4-(1-cyclohexyl-6-ethoxycarbonyl-3-propan-2-yloxypyrazolo[5,4-b]pyridin-4-yl)benzoic acid;ethyl 1-cyclohexyl-4-[4-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 159086929
ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate
CID 156895119
ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742917
tert-butyl 4-(4-ethoxycarbonylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59542587
tert-butyl 4-(6-amino-4-cyclopropyloxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138674923
tert-butyl 4-(2,3,4-trimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158431338
tert-butyl 4-(4-ethoxycarbonyl-3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170727423
ethyl 1-(cyclobutylmethyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742392
tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methanol
CID 145172703

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126743225) is ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C(C)C)nn(C3CCCCC3)c2n1.
What is the InChIKey of ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is YOYOPVAIPAVYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-7-35-26(33)22-17-21(19-13-15-31(16-14-19)27(34)36-28(4,5)6)23-24(18(2)3)30-32(25(23)29-22)20-11-9-8-10-12-20/h13,17-18,20H,7-12,14-16H2,1-6H3.
What are the key properties of ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 496.65 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126743225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).