(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C19H27N3O2 — CID 97382954

IUPAC(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOC[C@@H]1CN(Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C19H27N3O2/c1-3-23-12-16-9-21(10-17-7-4-14(2)24-17)11-18-19(16)22(13-20-18)8-15-5-6-15/h4,7,13,15-16H,3,5-6,8-12H2,1-2H3/t16-/m0/s1
InChIKeyNDQPTNMXVNQELU-INIZCTEOSA-N
MW329.44 g/mol
LogP3.33
Rot. Bonds7

About (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97382954) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97382954
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOC[C@@H]1CN(Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C19H27N3O2/c1-3-23-12-16-9-21(10-17-7-4-14(2)24-17)11-18-19(16)22(13-20-18)8-15-5-6-15/h4,7,13,15-16H,3,5-6,8-12H2,1-2H3/t16-/m0/s1
InChIKeyNDQPTNMXVNQELU-INIZCTEOSA-N
XLogP3.33
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97382954) is (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOC[C@@H]1CN(Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21.
What is the InChIKey of (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is NDQPTNMXVNQELU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-23-12-16-9-21(10-17-7-4-14(2)24-17)11-18-19(16)22(13-20-18)8-15-5-6-15/h4,7,13,15-16H,3,5-6,8-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 329.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97382954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).