1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone

C14H16N4O2 — CID 118787539

IUPAC1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCc2[nH]nc(CO)c2C1
InChIInChI=1S/C14H16N4O2/c19-9-13-11-8-18(5-3-12(11)16-17-13)14(20)6-10-2-1-4-15-7-10/h1-2,4,7,19H,3,5-6,8-9H2,(H,16,17)
InChIKeyWERWGKPMRGALOO-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.42
Rot. Bonds3

About 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone

1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (PubChem CID 118787539) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
PubChem CID118787539
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCc2[nH]nc(CO)c2C1
InChIInChI=1S/C14H16N4O2/c19-9-13-11-8-18(5-3-12(11)16-17-13)14(20)6-10-2-1-4-15-7-10/h1-2,4,7,19H,3,5-6,8-9H2,(H,16,17)
InChIKeyWERWGKPMRGALOO-UHFFFAOYSA-N
XLogP0.42
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (CID 118787539) is 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCc2[nH]nc(CO)c2C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The InChIKey is WERWGKPMRGALOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-9-13-11-8-18(5-3-12(11)16-17-13)14(20)6-10-2-1-4-15-7-10/h1-2,4,7,19H,3,5-6,8-9H2,(H,16,17).
What are the key properties of 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone has a molecular weight of 272.31 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 118787539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).