4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide

C22H22N4O3 — CID 155349495

IUPAC4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(O)c1C(=O)NC1CC1
InChIInChI=1S/C22H22N4O3/c1-22(2,12-23)14-4-7-17-16(10-24-26(17)11-14)13-8-18(27)20(19(9-13)29-3)21(28)25-15-5-6-15/h4,7-11,15,27H,5-6H2,1-3H3,(H,25,28)
InChIKeyCFPMUVMTUIXEGO-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.41
Rot. Bonds5

About 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide

4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide (PubChem CID 155349495) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound Name4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide
PubChem CID155349495
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(O)c1C(=O)NC1CC1
InChIInChI=1S/C22H22N4O3/c1-22(2,12-23)14-4-7-17-16(10-24-26(17)11-14)13-8-18(27)20(19(9-13)29-3)21(28)25-15-5-6-15/h4,7-11,15,27H,5-6H2,1-3H3,(H,25,28)
InChIKeyCFPMUVMTUIXEGO-UHFFFAOYSA-N
XLogP3.41
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide?
The IUPAC name of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide (CID 155349495) is 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide is COc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(O)c1C(=O)NC1CC1.
What is the InChIKey of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide?
The InChIKey is CFPMUVMTUIXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-22(2,12-23)14-4-7-17-16(10-24-26(17)11-14)13-8-18(27)20(19(9-13)29-3)21(28)25-15-5-6-15/h4,7-11,15,27H,5-6H2,1-3H3,(H,25,28).
What are the key properties of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide?
4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide has a molecular weight of 390.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 155349495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).