[(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone

C21H18N6O2 — CID 169166687

IUPAC[(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2CC3(CC3)c3nc[nH]c3[C@@H]2c2cc3ccccc3cn2)o1
InChIInChI=1S/C21H18N6O2/c1-12-25-26-19(29-12)20(28)27-10-21(6-7-21)18-16(23-11-24-18)17(27)15-8-13-4-2-3-5-14(13)9-22-15/h2-5,8-9,11,17H,6-7,10H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyJDYSCAWEMAZSRG-KRWDZBQOSA-N
MW386.42 g/mol
LogP2.93
Rot. Bonds2

About [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone

[(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 169166687) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID169166687
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name[(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2CC3(CC3)c3nc[nH]c3[C@@H]2c2cc3ccccc3cn2)o1
InChIInChI=1S/C21H18N6O2/c1-12-25-26-19(29-12)20(28)27-10-21(6-7-21)18-16(23-11-24-18)17(27)15-8-13-4-2-3-5-14(13)9-22-15/h2-5,8-9,11,17H,6-7,10H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyJDYSCAWEMAZSRG-KRWDZBQOSA-N
XLogP2.93
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (CID 169166687) is [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is Cc1nnc(C(=O)N2CC3(CC3)c3nc[nH]c3[C@@H]2c2cc3ccccc3cn2)o1.
What is the InChIKey of [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is JDYSCAWEMAZSRG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-12-25-26-19(29-12)20(28)27-10-21(6-7-21)18-16(23-11-24-18)17(27)15-8-13-4-2-3-5-14(13)9-22-15/h2-5,8-9,11,17H,6-7,10H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
[(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 386.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 169166687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).