1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea

C13H16N6O — CID 166280824

IUPAC1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cc3n(n2)CCCC3)cn1
InChIInChI=1S/C13H16N6O/c1-9-7-15-12(8-14-9)17-13(20)16-11-6-10-4-2-3-5-19(10)18-11/h6-8H,2-5H2,1H3,(H2,15,16,17,18,20)
InChIKeyWQVPXNBFFRGBRB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.96
Rot. Bonds2

About 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea

1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 166280824) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
PubChem CID166280824
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cc3n(n2)CCCC3)cn1
InChIInChI=1S/C13H16N6O/c1-9-7-15-12(8-14-9)17-13(20)16-11-6-10-4-2-3-5-19(10)18-11/h6-8H,2-5H2,1H3,(H2,15,16,17,18,20)
InChIKeyWQVPXNBFFRGBRB-UHFFFAOYSA-N
XLogP1.96
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea (CID 166280824) is 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea is Cc1cnc(NC(=O)Nc2cc3n(n2)CCCC3)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is WQVPXNBFFRGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-7-15-12(8-14-9)17-13(20)16-11-6-10-4-2-3-5-19(10)18-11/h6-8H,2-5H2,1H3,(H2,15,16,17,18,20).
What are the key properties of 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 272.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 166280824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).