6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H26N4O4 — CID 2542833

IUPAC6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc(OC)c1OC
InChIInChI=1S/C25H26N4O4/c1-15(2)29-24-19(14-26-29)18(13-20(28-24)16-9-7-6-8-10-16)25(30)27-17-11-21(31-3)23(33-5)22(12-17)32-4/h6-15H,1-5H3,(H,27,30)
InChIKeyMFZNSAMBYDHGMQ-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.96
Rot. Bonds7

About 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 2542833) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID2542833
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc(OC)c1OC
InChIInChI=1S/C25H26N4O4/c1-15(2)29-24-19(14-26-29)18(13-20(28-24)16-9-7-6-8-10-16)25(30)27-17-11-21(31-3)23(33-5)22(12-17)32-4/h6-15H,1-5H3,(H,27,30)
InChIKeyMFZNSAMBYDHGMQ-UHFFFAOYSA-N
XLogP4.96
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 2542833) is 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc(OC)c1OC.
What is the InChIKey of 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MFZNSAMBYDHGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-15(2)29-24-19(14-26-29)18(13-20(28-24)16-9-7-6-8-10-16)25(30)27-17-11-21(31-3)23(33-5)22(12-17)32-4/h6-15H,1-5H3,(H,27,30).
What are the key properties of 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 2542833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).