(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H25N3OS — CID 97368523

IUPAC(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C18H25N3OS/c1-13-3-6-16(23-13)9-20-8-15(11-22-2)18-17(10-20)19-12-21(18)7-14-4-5-14/h3,6,12,14-15H,4-5,7-11H2,1-2H3/t15-/m1/s1
InChIKeyCKSUMHROHDIVSZ-OAHLLOKOSA-N
MW331.49 g/mol
LogP3.41
Rot. Bonds6

About (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97368523) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97368523
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C18H25N3OS/c1-13-3-6-16(23-13)9-20-8-15(11-22-2)18-17(10-20)19-12-21(18)7-14-4-5-14/h3,6,12,14-15H,4-5,7-11H2,1-2H3/t15-/m1/s1
InChIKeyCKSUMHROHDIVSZ-OAHLLOKOSA-N
XLogP3.41
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97368523) is (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COC[C@H]1CN(Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21.
What is the InChIKey of (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is CKSUMHROHDIVSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-3-6-16(23-13)9-20-8-15(11-22-2)18-17(10-20)19-12-21(18)7-14-4-5-14/h3,6,12,14-15H,4-5,7-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 331.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97368523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).