1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

C20H26N4O2 — CID 97368598

IUPAC1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C20H26N4O2/c1-2-26-13-16-11-23(19(25)9-17-5-3-4-8-21-17)12-18-20(16)24(14-22-18)10-15-6-7-15/h3-5,8,14-16H,2,6-7,9-13H2,1H3/t16-/m0/s1
InChIKeyGBGYFIFXEXEXCI-INIZCTEOSA-N
MW354.45 g/mol
LogP2.39
Rot. Bonds7

About 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (PubChem CID 97368598) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
PubChem CID97368598
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C20H26N4O2/c1-2-26-13-16-11-23(19(25)9-17-5-3-4-8-21-17)12-18-20(16)24(14-22-18)10-15-6-7-15/h3-5,8,14-16H,2,6-7,9-13H2,1H3/t16-/m0/s1
InChIKeyGBGYFIFXEXEXCI-INIZCTEOSA-N
XLogP2.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (CID 97368598) is 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is CCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(CC3CC3)c21.
What is the InChIKey of 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The InChIKey is GBGYFIFXEXEXCI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-26-13-16-11-23(19(25)9-17-5-3-4-8-21-17)12-18-20(16)24(14-22-18)10-15-6-7-15/h3-5,8,14-16H,2,6-7,9-13H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone has a molecular weight of 354.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 97368598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).