3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide

C31H37N5O2 — CID 20863731

About 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 20863731) has the molecular formula C31H37N5O2 and a molecular weight of 511.67 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
• PubChem CID: 20863731
• Molecular Formula: C31H37N5O2
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.29
• IUPAC Name: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
• SMILES: Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)Nc4ccc(CN5CCOCC5)cc4)c(C)nc32)cc1C
• InChI: InChI=1S/C31H37N5O2/c1-20-6-11-27(18-21(20)2)36-31-30(24(5)34-36)22(3)28(23(4)32-31)12-13-29(37)33-26-9-7-25(8-10-26)19-35-14-16-38-17-15-35/h6-11,18H,12-17,19H2,1-5H3,(H,33,37)
• InChIKey: QRWLAIDZOGNKJS-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?

The IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (CID 20863731) is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.

What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?

The canonical SMILES for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)Nc4ccc(CN5CCOCC5)cc4)c(C)nc32)cc1C.

What is the InChIKey of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?

The InChIKey is QRWLAIDZOGNKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O2/c1-20-6-11-27(18-21(20)2)36-31-30(24(5)34-36)22(3)28(23(4)32-31)12-13-29(37)33-26-9-7-25(8-10-26)19-35-14-16-38-17-15-35/h6-11,18H,12-17,19H2,1-5H3,(H,33,37).

What are the key properties of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 511.67 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 20863731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).