1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C22H23N5O2 — CID 135355067

IUPAC1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OCc2ccn(C)n2)cn1
InChIInChI=1S/C22H23N5O2/c1-16(17-7-5-4-6-8-17)27-13-18(12-23-27)20-14-25(2)22(28)11-21(20)29-15-19-9-10-26(3)24-19/h4-14,16H,15H2,1-3H3
InChIKeyVBWVVCSGFRFGIJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.17
Rot. Bonds6

About 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355067) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355067
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OCc2ccn(C)n2)cn1
InChIInChI=1S/C22H23N5O2/c1-16(17-7-5-4-6-8-17)27-13-18(12-23-27)20-14-25(2)22(28)11-21(20)29-15-19-9-10-26(3)24-19/h4-14,16H,15H2,1-3H3
InChIKeyVBWVVCSGFRFGIJ-UHFFFAOYSA-N
XLogP3.17
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-4-(benzyloxy)-1-(1-(2-(2-(methoxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25054289
US10617680, Example 102
CID 135355042
US10617680, Example 167
CID 135355133
US10617680, Example 51
CID 135355141
US10617680, Example 64
CID 135355151
US10617680, Example 50
CID 135355178
US10617680, Example 62
CID 135355250
US10617680, Example 49
CID 135355312
US10617680, Example 56
CID 135355347
US10617680, Example 48
CID 135355367
US10617680, Example 39
CID 135355368
US10617680, Example 63
CID 135355369

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355067) is 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OCc2ccn(C)n2)cn1.
What is the InChIKey of 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is VBWVVCSGFRFGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16(17-7-5-4-6-8-17)27-13-18(12-23-27)20-14-25(2)22(28)11-21(20)29-15-19-9-10-26(3)24-19/h4-14,16H,15H2,1-3H3.
What are the key properties of 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylpyrazol-3-yl)methoxy]-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).