1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea

C31H30N6O2 — CID 44528867

IUPAC1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2nn3c(OCC4CCCCN4)cccc3c2-c2ccncc2)c1
InChIInChI=1S/C31H30N6O2/c38-31(34-24-9-2-1-3-10-24)35-25-12-6-8-23(20-25)30-29(22-15-18-32-19-16-22)27-13-7-14-28(37(27)36-30)39-21-26-11-4-5-17-33-26/h1-3,6-10,12-16,18-20,26,33H,4-5,11,17,21H2,(H2,34,35,38)
InChIKeyIQZDLZLUHYHKBE-UHFFFAOYSA-N
MW518.62 g/mol
LogP6.23
Rot. Bonds7

About 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea

1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea (PubChem CID 44528867) has the molecular formula C31H30N6O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea
PubChem CID44528867
Molecular FormulaC31H30N6O2
Molecular Weight518.62 g/mol
Exact Mass518.24
IUPAC Name1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2nn3c(OCC4CCCCN4)cccc3c2-c2ccncc2)c1
InChIInChI=1S/C31H30N6O2/c38-31(34-24-9-2-1-3-10-24)35-25-12-6-8-23(20-25)30-29(22-15-18-32-19-16-22)27-13-7-14-28(37(27)36-30)39-21-26-11-4-5-17-33-26/h1-3,6-10,12-16,18-20,26,33H,4-5,11,17,21H2,(H2,34,35,38)
InChIKeyIQZDLZLUHYHKBE-UHFFFAOYSA-N
XLogP6.23
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea?
The IUPAC name of 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea (CID 44528867) is 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea is O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(OCC4CCCCN4)cccc3c2-c2ccncc2)c1.
What is the InChIKey of 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea?
The InChIKey is IQZDLZLUHYHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O2/c38-31(34-24-9-2-1-3-10-24)35-25-12-6-8-23(20-25)30-29(22-15-18-32-19-16-22)27-13-7-14-28(37(27)36-30)39-21-26-11-4-5-17-33-26/h1-3,6-10,12-16,18-20,26,33H,4-5,11,17,21H2,(H2,34,35,38).
What are the key properties of 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea?
1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea has a molecular weight of 518.62 g/mol, XLogP of 6.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-[7-(piperidin-2-ylmethoxy)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-2-yl]phenyl]urea is sourced from PubChem (CID 44528867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).