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

C22H26N4O4 — CID 17492877

IUPAC6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc(OC)c1OC
InChIInChI=1S/C22H26N4O4/c1-12(2)26-21-16(11-23-26)15(10-17(25-21)13-6-7-13)22(27)24-14-8-18(28-3)20(30-5)19(9-14)29-4/h8-13H,6-7H2,1-5H3,(H,24,27)
InChIKeyHAEWXXIVPQIVLT-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.17
Rot. Bonds7

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

6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17492877) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17492877
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc(OC)c1OC
InChIInChI=1S/C22H26N4O4/c1-12(2)26-21-16(11-23-26)15(10-17(25-21)13-6-7-13)22(27)24-14-8-18(28-3)20(30-5)19(9-14)29-4/h8-13H,6-7H2,1-5H3,(H,24,27)
InChIKeyHAEWXXIVPQIVLT-UHFFFAOYSA-N
XLogP4.17
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 17492877) is 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc(OC)c1OC.
What is the InChIKey of 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HAEWXXIVPQIVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-12(2)26-21-16(11-23-26)15(10-17(25-21)13-6-7-13)22(27)24-14-8-18(28-3)20(30-5)19(9-14)29-4/h8-13H,6-7H2,1-5H3,(H,24,27).
What are the key properties of 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17492877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).