7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C16H21N5O — CID 118746030

IUPAC7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCC1CC1)CN(c1ncccn1)C2
InChIInChI=1S/C16H21N5O/c1-20-11-19-14-8-21(16-17-5-2-6-18-16)7-13(15(14)20)10-22-9-12-3-4-12/h2,5-6,11-13H,3-4,7-10H2,1H3
InChIKeyWWBGUZLKDUOACB-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.74
Rot. Bonds5

About 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118746030) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118746030
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCC1CC1)CN(c1ncccn1)C2
InChIInChI=1S/C16H21N5O/c1-20-11-19-14-8-21(16-17-5-2-6-18-16)7-13(15(14)20)10-22-9-12-3-4-12/h2,5-6,11-13H,3-4,7-10H2,1H3
InChIKeyWWBGUZLKDUOACB-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368461
(7S)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382899
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368383
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118743206
(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368457
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131650769
(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382865
7-(methoxymethyl)-1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131648025
5-benzyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155863122
[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155859354
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155824182
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 118745008

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118746030) is 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cnc2c1C(COCC1CC1)CN(c1ncccn1)C2.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is WWBGUZLKDUOACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-11-19-14-8-21(16-17-5-2-6-18-16)7-13(15(14)20)10-22-9-12-3-4-12/h2,5-6,11-13H,3-4,7-10H2,1H3.
What are the key properties of 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 299.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118746030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).