[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

C20H28N4O2 — CID 170503288

IUPAC[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCC(C)CCc1nc2c(o1)CCN(C(=O)c1c3c(nn1C)CCCC3)C2
InChIInChI=1S/C20H28N4O2/c1-13(2)8-9-18-21-16-12-24(11-10-17(16)26-18)20(25)19-14-6-4-5-7-15(14)22-23(19)3/h13H,4-12H2,1-3H3
InChIKeyWGANECQDWOAHIW-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.07
Rot. Bonds4

About [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (PubChem CID 170503288) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
PubChem CID170503288
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCC(C)CCc1nc2c(o1)CCN(C(=O)c1c3c(nn1C)CCCC3)C2
InChIInChI=1S/C20H28N4O2/c1-13(2)8-9-18-21-16-12-24(11-10-17(16)26-18)20(25)19-14-6-4-5-7-15(14)22-23(19)3/h13H,4-12H2,1-3H3
InChIKeyWGANECQDWOAHIW-UHFFFAOYSA-N
XLogP3.07
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The IUPAC name of [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (CID 170503288) is [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.
What is the SMILES notation for [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The canonical SMILES for [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is CC(C)CCc1nc2c(o1)CCN(C(=O)c1c3c(nn1C)CCCC3)C2.
What is the InChIKey of [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The InChIKey is WGANECQDWOAHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13(2)8-9-18-21-16-12-24(11-10-17(16)26-18)20(25)19-14-6-4-5-7-15(14)22-23(19)3/h13H,4-12H2,1-3H3.
What are the key properties of [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is sourced from PubChem (CID 170503288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).