(3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

C17H29N5O2 — CID 74583616

IUPAC(3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCCCC(CCC)C1NNC2CCN(C(=O)c3nonc3C)CC21
InChIInChI=1S/C17H29N5O2/c1-4-6-12(7-5-2)16-13-10-22(9-8-14(13)18-19-16)17(23)15-11(3)20-24-21-15/h12-14,16,18-19H,4-10H2,1-3H3
InChIKeyXTOLCCDKEXMMTC-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.90
Rot. Bonds6

About (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

(3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 74583616) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name(3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID74583616
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCCCC(CCC)C1NNC2CCN(C(=O)c3nonc3C)CC21
InChIInChI=1S/C17H29N5O2/c1-4-6-12(7-5-2)16-13-10-22(9-8-14(13)18-19-16)17(23)15-11(3)20-24-21-15/h12-14,16,18-19H,4-10H2,1-3H3
InChIKeyXTOLCCDKEXMMTC-UHFFFAOYSA-N
XLogP1.90
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 74583616) is (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is CCCC(CCC)C1NNC2CCN(C(=O)c3nonc3C)CC21.
What is the InChIKey of (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is XTOLCCDKEXMMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-6-12(7-5-2)16-13-10-22(9-8-14(13)18-19-16)17(23)15-11(3)20-24-21-15/h12-14,16,18-19H,4-10H2,1-3H3.
What are the key properties of (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
(3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-heptan-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 74583616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).