1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one

C22H26N6O2 — CID 131683277

IUPAC1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one
SMILESCc1cccc(COCC2CN(C(=O)CCc3cncnc3)Cc3ncn(C)c32)n1
InChIInChI=1S/C22H26N6O2/c1-16-4-3-5-19(26-16)13-30-12-18-10-28(11-20-22(18)27(2)15-25-20)21(29)7-6-17-8-23-14-24-9-17/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3
InChIKeyTZGAGPDIXLDUGB-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.19
Rot. Bonds7

About 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one

1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one (PubChem CID 131683277) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one
PubChem CID131683277
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one
SMILESCc1cccc(COCC2CN(C(=O)CCc3cncnc3)Cc3ncn(C)c32)n1
InChIInChI=1S/C22H26N6O2/c1-16-4-3-5-19(26-16)13-30-12-18-10-28(11-20-22(18)27(2)15-25-20)21(29)7-6-17-8-23-14-24-9-17/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3
InChIKeyTZGAGPDIXLDUGB-UHFFFAOYSA-N
XLogP2.19
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one with MolForge

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Related Compounds

1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 134073750
1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97368331
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone
CID 131659956
2-ethoxy-1-[(7S)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 97368963
(7S)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382899
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
N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 97368363
4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole
CID 97368510
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368383
(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131663093
[(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 97368276
1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 97368598

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one (CID 131683277) is 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one is Cc1cccc(COCC2CN(C(=O)CCc3cncnc3)Cc3ncn(C)c32)n1.
What is the InChIKey of 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one?
The InChIKey is TZGAGPDIXLDUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-4-3-5-19(26-16)13-30-12-18-10-28(11-20-22(18)27(2)15-25-20)21(29)7-6-17-8-23-14-24-9-17/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3.
What are the key properties of 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one?
1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one has a molecular weight of 406.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 131683277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).