1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C16H21N5O — CID 131651584

IUPAC1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCC1CN(c2ccncn2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C16H21N5O/c1-22-9-13-7-20(15-4-5-17-10-18-15)8-14-16(13)21(11-19-14)6-12-2-3-12/h4-5,10-13H,2-3,6-9H2,1H3
InChIKeyDAXBKVPBWVCOAQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.83
Rot. Bonds5

About 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 131651584) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID131651584
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCC1CN(c2ccncn2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C16H21N5O/c1-22-9-13-7-20(15-4-5-17-10-18-15)8-14-16(13)21(11-19-14)6-12-2-3-12/h4-5,10-13H,2-3,6-9H2,1H3
InChIKeyDAXBKVPBWVCOAQ-UHFFFAOYSA-N
XLogP1.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

(7S)-1,5-bis(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382931
2-(cyclopentylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 134072135
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131650769
1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 97382934
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-N,N-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382943
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131653605
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368523
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171688615
(7R)-1,5-bis(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382972
[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone
CID 97368537
1-[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 155863952
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118743206

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 131651584) is 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COCC1CN(c2ccncn2)Cc2ncn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is DAXBKVPBWVCOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-9-13-7-20(15-4-5-17-10-18-15)8-14-16(13)21(11-19-14)6-12-2-3-12/h4-5,10-13H,2-3,6-9H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 299.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 131651584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).