[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone

C17H21N3O3 — CID 97368383

IUPAC[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESCn1cnc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C17H21N3O3/c1-19-11-18-15-7-20(17(21)13-4-5-22-9-13)6-14(16(15)19)10-23-8-12-2-3-12/h4-5,9,11-12,14H,2-3,6-8,10H2,1H3/t14-/m1/s1
InChIKeyLMENKWNRQBLHPD-CQSZACIVSA-N
MW315.37 g/mol
LogP2.18
Rot. Bonds5

About [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone

[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone (PubChem CID 97368383) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
PubChem CID97368383
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESCn1cnc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C17H21N3O3/c1-19-11-18-15-7-20(17(21)13-4-5-22-9-13)6-14(16(15)19)10-23-8-12-2-3-12/h4-5,9,11-12,14H,2-3,6-8,10H2,1H3/t14-/m1/s1
InChIKeyLMENKWNRQBLHPD-CQSZACIVSA-N
XLogP2.18
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382899
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155824182
[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155859354
[(7S)-7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368908
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97382719
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
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone
CID 131684635
(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131663093
cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155862257
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 118745008
7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118746030
1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 97368635

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The IUPAC name of [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone (CID 97368383) is [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone is Cn1cnc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccoc1)C2.
What is the InChIKey of [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The InChIKey is LMENKWNRQBLHPD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-11-18-15-7-20(17(21)13-4-5-22-9-13)6-14(16(15)19)10-23-8-12-2-3-12/h4-5,9,11-12,14H,2-3,6-8,10H2,1H3/t14-/m1/s1.
What are the key properties of [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone has a molecular weight of 315.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97368383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).