1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea

C20H17N5O — CID 150724254

IUPAC1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc2cc(-c3ccccc3)nn2c1
InChIInChI=1S/C20H17N5O/c26-20(22-13-15-8-10-21-11-9-15)23-17-6-7-18-12-19(24-25(18)14-17)16-4-2-1-3-5-16/h1-12,14H,13H2,(H2,22,23,26)
InChIKeyJQMKSDQHMLGONZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.72
Rot. Bonds4

About 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea

1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 150724254) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea
PubChem CID150724254
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc2cc(-c3ccccc3)nn2c1
InChIInChI=1S/C20H17N5O/c26-20(22-13-15-8-10-21-11-9-15)23-17-6-7-18-12-19(24-25(18)14-17)16-4-2-1-3-5-16/h1-12,14H,13H2,(H2,22,23,26)
InChIKeyJQMKSDQHMLGONZ-UHFFFAOYSA-N
XLogP3.72
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea (CID 150724254) is 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1ccc2cc(-c3ccccc3)nn2c1.
What is the InChIKey of 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is JQMKSDQHMLGONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(22-13-15-8-10-21-11-9-15)23-17-6-7-18-12-19(24-25(18)14-17)16-4-2-1-3-5-16/h1-12,14H,13H2,(H2,22,23,26).
What are the key properties of 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea?
1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 343.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 150724254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).