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

C18H27N5O2 — CID 72861999

IUPAC(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCC(C)C1=NOC(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C)C1
InChIInChI=1S/C18H27N5O2/c1-12(2)14-10-15(25-21-14)17(24)23-8-5-18(6-9-23)16-13(19-11-20-16)4-7-22(18)3/h11-12,15H,4-10H2,1-3H3,(H,19,20)
InChIKeyNCBFCKGIXGGHCD-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.52
Rot. Bonds2

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

(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone (PubChem CID 72861999) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
PubChem CID72861999
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCC(C)C1=NOC(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C)C1
InChIInChI=1S/C18H27N5O2/c1-12(2)14-10-15(25-21-14)17(24)23-8-5-18(6-9-23)16-13(19-11-20-16)4-7-22(18)3/h11-12,15H,4-10H2,1-3H3,(H,19,20)
InChIKeyNCBFCKGIXGGHCD-UHFFFAOYSA-N
XLogP1.52
TPSA73.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.52
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)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-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)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The IUPAC name of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone (CID 72861999) is (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone is CC(C)C1=NOC(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C)C1.
What is the InChIKey of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The InChIKey is NCBFCKGIXGGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)14-10-15(25-21-14)17(24)23-8-5-18(6-9-23)16-13(19-11-20-16)4-7-22(18)3/h11-12,15H,4-10H2,1-3H3,(H,19,20).
What are the key properties of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 1.52, 2 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)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 72861999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).