3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide

C21H28N6O — CID 126811896

IUPAC3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide
SMILESCc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1cc2n(n1)CCCC2
InChIInChI=1S/C21H28N6O/c1-13(2)27-21-18(12-22-27)14(3)17(15(4)23-21)8-9-20(28)24-19-11-16-7-5-6-10-26(16)25-19/h11-13H,5-10H2,1-4H3,(H,24,25,28)
InChIKeyJBXGIFHYFYEKEH-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.73
Rot. Bonds5

About 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide

3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide (PubChem CID 126811896) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide
PubChem CID126811896
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide
SMILESCc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1cc2n(n1)CCCC2
InChIInChI=1S/C21H28N6O/c1-13(2)27-21-18(12-22-27)14(3)17(15(4)23-21)8-9-20(28)24-19-11-16-7-5-6-10-26(16)25-19/h11-13H,5-10H2,1-4H3,(H,24,25,28)
InChIKeyJBXGIFHYFYEKEH-UHFFFAOYSA-N
XLogP3.73
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide (CID 126811896) is 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide is Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1cc2n(n1)CCCC2.
What is the InChIKey of 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide?
The InChIKey is JBXGIFHYFYEKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-13(2)27-21-18(12-22-27)14(3)17(15(4)23-21)8-9-20(28)24-19-11-16-7-5-6-10-26(16)25-19/h11-13H,5-10H2,1-4H3,(H,24,25,28).
What are the key properties of 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide?
3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide has a molecular weight of 380.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propanamide is sourced from PubChem (CID 126811896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).