1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea

C31H30N6O2 — CID 44528955

About 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea

1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea (PubChem CID 44528955) has the molecular formula C31H30N6O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea
• PubChem CID: 44528955
• Molecular Formula: C31H30N6O2
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.24
• IUPAC Name: 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea
• SMILES: O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(OCCN4CCCC4)cccc3c2-c2ccncc2)c1
• InChI: InChI=1S/C31H30N6O2/c38-31(33-25-9-2-1-3-10-25)34-26-11-6-8-24(22-26)30-29(23-14-16-32-17-15-23)27-12-7-13-28(37(27)35-30)39-21-20-36-18-4-5-19-36/h1-3,6-17,22H,4-5,18-21H2,(H2,33,34,38)
• InChIKey: WOIBPTLVUTZQDO-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea?

The IUPAC name of 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea (CID 44528955) is 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea.

What is the SMILES notation for 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea?

The canonical SMILES for 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea is O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(OCCN4CCCC4)cccc3c2-c2ccncc2)c1.

What is the InChIKey of 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea?

The InChIKey is WOIBPTLVUTZQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O2/c38-31(33-25-9-2-1-3-10-25)34-26-11-6-8-24(22-26)30-29(23-14-16-32-17-15-23)27-12-7-13-28(37(27)35-30)39-21-20-36-18-4-5-19-36/h1-3,6-17,22H,4-5,18-21H2,(H2,33,34,38).

What are the key properties of 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea?

1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea has a molecular weight of 518.62 g/mol, XLogP of 6.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea is sourced from PubChem (CID 44528955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).