1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone

C20H24FN3O2 — CID 97368559

IUPAC1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone
SMILESCOC[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C20H24FN3O2/c1-26-12-16-10-23(19(25)8-14-4-6-17(21)7-5-14)11-18-20(16)24(13-22-18)9-15-2-3-15/h4-7,13,15-16H,2-3,8-12H2,1H3/t16-/m1/s1
InChIKeyFCIPQQIFMYDDJD-MRXNPFEDSA-N
MW357.43 g/mol
LogP2.75
Rot. Bonds6

About 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone

1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 97368559) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone
PubChem CID97368559
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone
SMILESCOC[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C20H24FN3O2/c1-26-12-16-10-23(19(25)8-14-4-6-17(21)7-5-14)11-18-20(16)24(13-22-18)9-15-2-3-15/h4-7,13,15-16H,2-3,8-12H2,1H3/t16-/m1/s1
InChIKeyFCIPQQIFMYDDJD-MRXNPFEDSA-N
XLogP2.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone (CID 97368559) is 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone is COC[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21.
What is the InChIKey of 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is FCIPQQIFMYDDJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-26-12-16-10-23(19(25)8-14-4-6-17(21)7-5-14)11-18-20(16)24(13-22-18)9-15-2-3-15/h4-7,13,15-16H,2-3,8-12H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone?
1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 357.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 97368559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).