3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide

C22H27N5O2 — CID 92595651

About 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide (PubChem CID 92595651) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide
• PubChem CID: 92595651
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide
• SMILES: COc1ccc(CCC(=O)NCCn2nc([C@H]3CCNC3)c3cccnc32)cc1
• InChI: InChI=1S/C22H27N5O2/c1-29-18-7-4-16(5-8-18)6-9-20(28)24-13-14-27-22-19(3-2-11-25-22)21(26-27)17-10-12-23-15-17/h2-5,7-8,11,17,23H,6,9-10,12-15H2,1H3,(H,24,28)/t17-/m0/s1
• InChIKey: HNBVGYDIIXHXEP-KRWDZBQOSA-N
• XLogP: 2.27
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide?

The IUPAC name of 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide (CID 92595651) is 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide.

What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide?

The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide is COc1ccc(CCC(=O)NCCn2nc([C@H]3CCNC3)c3cccnc32)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide?

The InChIKey is HNBVGYDIIXHXEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-29-18-7-4-16(5-8-18)6-9-20(28)24-13-14-27-22-19(3-2-11-25-22)21(26-27)17-10-12-23-15-17/h2-5,7-8,11,17,23H,6,9-10,12-15H2,1H3,(H,24,28)/t17-/m0/s1.

What are the key properties of 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide?

3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide is sourced from PubChem (CID 92595651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).