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

C19H29N3O3 — CID 97368635

IUPAC1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C19H29N3O3/c1-14(23)21-9-17(12-25-11-16-4-6-24-7-5-16)19-18(10-21)20-13-22(19)8-15-2-3-15/h13,15-17H,2-12H2,1H3/t17-/m1/s1
InChIKeyGDWKOCYVSUMPRE-QGZVFWFLSA-N
MW347.46 g/mol
LogP2.18
Rot. Bonds6

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

1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 97368635) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID97368635
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C19H29N3O3/c1-14(23)21-9-17(12-25-11-16-4-6-24-7-5-16)19-18(10-21)20-13-22(19)8-15-2-3-15/h13,15-17H,2-12H2,1H3/t17-/m1/s1
InChIKeyGDWKOCYVSUMPRE-QGZVFWFLSA-N
XLogP2.18
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (CID 97368635) is 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is CC(=O)N1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1.
What is the InChIKey of 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is GDWKOCYVSUMPRE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(23)21-9-17(12-25-11-16-4-6-24-7-5-16)19-18(10-21)20-13-22(19)8-15-2-3-15/h13,15-17H,2-12H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 97368635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).