(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C19H25N5O2 — CID 72936585

IUPAC(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)c1noc3c1CCCC3)CC2
InChIInChI=1S/C19H25N5O2/c1-23-9-6-14-17(21-12-20-14)19(23)7-10-24(11-8-19)18(25)16-13-4-2-3-5-15(13)26-22-16/h12H,2-11H2,1H3,(H,20,21)
InChIKeyAJEQTHZLFVCCPK-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.90
Rot. Bonds1

About (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 72936585) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID72936585
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)c1noc3c1CCCC3)CC2
InChIInChI=1S/C19H25N5O2/c1-23-9-6-14-17(21-12-20-14)19(23)7-10-24(11-8-19)18(25)16-13-4-2-3-5-15(13)26-22-16/h12H,2-11H2,1H3,(H,20,21)
InChIKeyAJEQTHZLFVCCPK-UHFFFAOYSA-N
XLogP1.90
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 72936585) is (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is CN1CCc2[nH]cnc2C12CCN(C(=O)c1noc3c1CCCC3)CC2.
What is the InChIKey of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is AJEQTHZLFVCCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23-9-6-14-17(21-12-20-14)19(23)7-10-24(11-8-19)18(25)16-13-4-2-3-5-15(13)26-22-16/h12H,2-11H2,1H3,(H,20,21).
What are the key properties of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 72936585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).