propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

C17H17N3O2 — CID 140814361

IUPACpropan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCc1cccc(-n2ncc3ccc(C(=O)OC(C)C)nc32)c1
InChIInChI=1S/C17H17N3O2/c1-11(2)22-17(21)15-8-7-13-10-18-20(16(13)19-15)14-6-4-5-12(3)9-14/h4-11H,1-3H3
InChIKeyCKVXYWHRLGKSGI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.29
Rot. Bonds3

About propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 140814361) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID140814361
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namepropan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCc1cccc(-n2ncc3ccc(C(=O)OC(C)C)nc32)c1
InChIInChI=1S/C17H17N3O2/c1-11(2)22-17(21)15-8-7-13-10-18-20(16(13)19-15)14-6-4-5-12(3)9-14/h4-11H,1-3H3
InChIKeyCKVXYWHRLGKSGI-UHFFFAOYSA-N
XLogP3.29
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 150017906
propan-2-yl 7-methylisoquinoline-3-carboxylate
CID 133054385
[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 47079383
6-bromo-1-(3-methylphenyl)indazole
CID 142432399
ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
(2S,3S)-2-amino-3-hydroxy-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;sulfane;hydrochloride
CID 164969015
propan-2-yl 6-fluoropyridine-2-carboxylate
CID 57438917
[(2S)-4-hydroxy-1-[[1-(3-methylphenyl)indazol-6-yl]amino]-1-oxobutan-2-yl] carbamate
CID 175194363
1-(3-methylphenyl)-6-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637867
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034
2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119208682
(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride
CID 164800166

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 140814361) is propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is Cc1cccc(-n2ncc3ccc(C(=O)OC(C)C)nc32)c1.
What is the InChIKey of propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is CKVXYWHRLGKSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)22-17(21)15-8-7-13-10-18-20(16(13)19-15)14-6-4-5-12(3)9-14/h4-11H,1-3H3.
What are the key properties of propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 140814361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).