1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea

C20H20N6O — CID 155964291

IUPAC1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
SMILESCN(C(=O)NCc1cnn2ccccc12)C(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C20H20N6O/c1-25(18(19-21-10-11-22-19)15-7-3-2-4-8-15)20(27)23-13-16-14-24-26-12-6-5-9-17(16)26/h2-12,14,18H,13H2,1H3,(H,21,22)(H,23,27)
InChIKeyMTXJPXSLLHEZJX-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.99
Rot. Bonds5

About 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea

1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea (PubChem CID 155964291) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
PubChem CID155964291
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
SMILESCN(C(=O)NCc1cnn2ccccc12)C(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C20H20N6O/c1-25(18(19-21-10-11-22-19)15-7-3-2-4-8-15)20(27)23-13-16-14-24-26-12-6-5-9-17(16)26/h2-12,14,18H,13H2,1H3,(H,21,22)(H,23,27)
InChIKeyMTXJPXSLLHEZJX-UHFFFAOYSA-N
XLogP2.99
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 90538425
2-phenyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63315133
N,N-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)propanamide
CID 63311793
3-phenyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 71790717
2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63311880
2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 56915831
2-methyl-1-phenyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 63311752
1-(2-phenylethyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
CID 71790768
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 56886081
3-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)butan-2-ol
CID 113342065
4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538445
2-(1H-indol-3-yl)-2-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 71790725

Frequently Asked Questions

What is the IUPAC name of 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea (CID 155964291) is 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea is CN(C(=O)NCc1cnn2ccccc12)C(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The InChIKey is MTXJPXSLLHEZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25(18(19-21-10-11-22-19)15-7-3-2-4-8-15)20(27)23-13-16-14-24-26-12-6-5-9-17(16)26/h2-12,14,18H,13H2,1H3,(H,21,22)(H,23,27).
What are the key properties of 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea has a molecular weight of 360.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 155964291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).