4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H25N5O — CID 56703501

IUPAC4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1c(C2c3nc[nH]c3CCN2CCOCc2ccccc2)cnn1C
InChIInChI=1S/C20H25N5O/c1-15-17(12-23-24(15)2)20-19-18(21-14-22-19)8-9-25(20)10-11-26-13-16-6-4-3-5-7-16/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22)
InChIKeyIWECMWRDEPNZAL-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.62
Rot. Bonds6

About 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56703501) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56703501
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1c(C2c3nc[nH]c3CCN2CCOCc2ccccc2)cnn1C
InChIInChI=1S/C20H25N5O/c1-15-17(12-23-24(15)2)20-19-18(21-14-22-19)8-9-25(20)10-11-26-13-16-6-4-3-5-7-16/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22)
InChIKeyIWECMWRDEPNZAL-UHFFFAOYSA-N
XLogP2.62
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2r,3s,5r)-2-(2,5-Difluorophenyl)-5-(7h-Pyrrolo[3',4':3,4]pyrazolo[1,5-A]pyrimidin-8(9h)-Yl)oxan-3-Amine
CID 24951732
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,7,8,9,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
CID 24798754
(2R,3S,5R)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050132
(2R,3S,5R)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050761
(2R,3S,5R)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127051045
(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
CID 127052289
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
CID 24952089
N-(1H-indol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028337
(2R,3S,5S)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127048874
(2R,3S,5S)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127048876
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
CID 127049204
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
CID 127050762

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56703501) is 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1c(C2c3nc[nH]c3CCN2CCOCc2ccccc2)cnn1C.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is IWECMWRDEPNZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-17(12-23-24(15)2)20-19-18(21-14-22-19)8-9-25(20)10-11-26-13-16-6-4-3-5-7-16/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22).
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 351.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56703501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).