3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C20H25N5O — CID 118739395

IUPAC3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cc(CN2CCc3ncn(C)c3C2COCc2ccccc2)cn1
InChIInChI=1S/C20H25N5O/c1-23-15-21-18-8-9-25(12-17-10-22-24(2)11-17)19(20(18)23)14-26-13-16-6-4-3-5-7-16/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3
InChIKeyQVDAKGSVAIYHML-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.47
Rot. Bonds6

About 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739395) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118739395
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cc(CN2CCc3ncn(C)c3C2COCc2ccccc2)cn1
InChIInChI=1S/C20H25N5O/c1-23-15-21-18-8-9-25(12-17-10-22-24(2)11-17)19(20(18)23)14-26-13-16-6-4-3-5-7-16/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3
InChIKeyQVDAKGSVAIYHML-UHFFFAOYSA-N
XLogP2.47
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 53236823
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
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1'-[(3-methyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561403
1'-[(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
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(6S)-6-[[5-(4-fluorophenyl)-2-methyl-pyrazol-3-yl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
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CID 11419380
7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine
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US9018217, {5-Methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-methanol
CID 66636097
(2R,6R)-10-(2-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 168287632
N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 164623635
1-[(3R,4R)-3-(4-pyrimidin-4-yltriazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 166101008

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739395) is 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cc(CN2CCc3ncn(C)c3C2COCc2ccccc2)cn1.
What is the InChIKey of 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is QVDAKGSVAIYHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-23-15-21-18-8-9-25(12-17-10-22-24(2)11-17)19(20(18)23)14-26-13-16-6-4-3-5-7-16/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3.
What are the key properties of 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 351.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).