benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

C20H23N3O2 — CID 8907534

IUPACbenzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)c1cc(C(=O)OCc2ccccc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H23N3O2/c1-13(2)18-10-16(17-11-21-23(14(3)4)19(17)22-18)20(24)25-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3
InChIKeyFJNIUGUYZXPTHO-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.49
Rot. Bonds5

About benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 8907534) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID8907534
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Namebenzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)c1cc(C(=O)OCc2ccccc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H23N3O2/c1-13(2)18-10-16(17-11-21-23(14(3)4)19(17)22-18)20(24)25-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3
InChIKeyFJNIUGUYZXPTHO-UHFFFAOYSA-N
XLogP4.49
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907139
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8908004
N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46546304
(7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 26179573
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24554726
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8906741
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8908052
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 55338714
N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32636840
[2-(2,5-dichloroanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 26179679
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 55338575

Frequently Asked Questions

What is the IUPAC name of benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 8907534) is benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is CC(C)c1cc(C(=O)OCc2ccccc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is FJNIUGUYZXPTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)18-10-16(17-11-21-23(14(3)4)19(17)22-18)20(24)25-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3.
What are the key properties of benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 8907534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).