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

C24H25N3O4 — CID 26179573

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1ccc2c(COC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)cc(=O)oc2c1
InChIInChI=1S/C24H25N3O4/c1-13(2)20-10-18(19-11-25-27(14(3)4)23(19)26-20)24(29)30-12-16-9-22(28)31-21-8-15(5)6-7-17(16)21/h6-11,13-14H,12H2,1-5H3
InChIKeySFZKIDJFESTEMX-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.91
Rot. Bonds5

About (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

(7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 26179573) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID26179573
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1ccc2c(COC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)cc(=O)oc2c1
InChIInChI=1S/C24H25N3O4/c1-13(2)20-10-18(19-11-25-27(14(3)4)23(19)26-20)24(29)30-12-16-9-22(28)31-21-8-15(5)6-7-17(16)21/h6-11,13-14H,12H2,1-5H3
InChIKeySFZKIDJFESTEMX-UHFFFAOYSA-N
XLogP4.91
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
(7-methyl-2-oxochromen-4-yl)methyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]benzoate
CID 4690964
N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 26179748
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8908004
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435
[2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907139
[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
(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2548027
(7-methyl-2-oxochromen-4-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4315266
(7-methyl-2-oxochromen-4-yl)methyl 4-iodobenzoate
CID 2628144
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2402062

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 26179573) is (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is Cc1ccc2c(COC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is SFZKIDJFESTEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-13(2)20-10-18(19-11-25-27(14(3)4)23(19)26-20)24(29)30-12-16-9-22(28)31-21-8-15(5)6-7-17(16)21/h6-11,13-14H,12H2,1-5H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
(7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 26179573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).