furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C18H22N4O3 — CID 46076177

IUPACfuran-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2ccco2)CC3)CC1
InChIInChI=1S/C18H22N4O3/c1-12-4-7-21(8-5-12)18(24)16-13-11-22(9-6-14(13)19-20-16)17(23)15-3-2-10-25-15/h2-3,10,12H,4-9,11H2,1H3,(H,19,20)
InChIKeyYDVFBJIRHAHKEI-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.07
Rot. Bonds2

About furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 46076177) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID46076177
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namefuran-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2ccco2)CC3)CC1
InChIInChI=1S/C18H22N4O3/c1-12-4-7-21(8-5-12)18(24)16-13-11-22(9-6-14(13)19-20-16)17(23)15-3-2-10-25-15/h2-3,10,12H,4-9,11H2,1H3,(H,19,20)
InChIKeyYDVFBJIRHAHKEI-UHFFFAOYSA-N
XLogP2.07
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 46076177) is furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is CC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2ccco2)CC3)CC1.
What is the InChIKey of furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is YDVFBJIRHAHKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-4-7-21(8-5-12)18(24)16-13-11-22(9-6-14(13)19-20-16)17(23)15-3-2-10-25-15/h2-3,10,12H,4-9,11H2,1H3,(H,19,20).
What are the key properties of furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 46076177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).