(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C20H28N4O2 — CID 97368457

IUPAC(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1[C@@H](COCC1CCOCC1)CN(Cc1cccnc1)C2
InChIInChI=1S/C20H28N4O2/c1-23-15-22-19-12-24(10-17-3-2-6-21-9-17)11-18(20(19)23)14-26-13-16-4-7-25-8-5-16/h2-3,6,9,15-16,18H,4-5,7-8,10-14H2,1H3/t18-/m1/s1
InChIKeyJGANIGFSPLLBGN-GOSISDBHSA-N
MW356.47 g/mol
LogP2.36
Rot. Bonds6

About (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97368457) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97368457
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1[C@@H](COCC1CCOCC1)CN(Cc1cccnc1)C2
InChIInChI=1S/C20H28N4O2/c1-23-15-22-19-12-24(10-17-3-2-6-21-9-17)11-18(20(19)23)14-26-13-16-4-7-25-8-5-16/h2-3,6,9,15-16,18H,4-5,7-8,10-14H2,1H3/t18-/m1/s1
InChIKeyJGANIGFSPLLBGN-GOSISDBHSA-N
XLogP2.36
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(ethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131660540
(7R)-7-(methoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382834
5-benzyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155863122
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383358
N,N-dimethyl-2-[[1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 134070194
5-(furan-3-ylmethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828384
(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368461
(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382865
1-methyl-5-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134076766
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 131657011
7-(ethoxymethyl)-2-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131641198
7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118746030

Frequently Asked Questions

What is the IUPAC name of (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97368457) is (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(Cc1cccnc1)C2.
What is the InChIKey of (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is JGANIGFSPLLBGN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23-15-22-19-12-24(10-17-3-2-6-21-9-17)11-18(20(19)23)14-26-13-16-4-7-25-8-5-16/h2-3,6,9,15-16,18H,4-5,7-8,10-14H2,1H3/t18-/m1/s1.
What are the key properties of (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 356.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97368457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).