3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C25H28N6O4 — CID 139301821

IUPAC3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)n(C)n1
InChIInChI=1S/C25H28N6O4/c1-29-24(35-3)12-20(27-29)13-26-25(33)21-16-31(28-22(21)17-34-2)15-19-9-7-18(8-10-19)14-30-11-5-4-6-23(30)32/h4-12,16H,13-15,17H2,1-3H3,(H,26,33)
InChIKeyAKTSEYYIYFHXQV-UHFFFAOYSA-N
MW476.54 g/mol
LogP1.96
Rot. Bonds10

About 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 139301821) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID139301821
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Name3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)n(C)n1
InChIInChI=1S/C25H28N6O4/c1-29-24(35-3)12-20(27-29)13-26-25(33)21-16-31(28-22(21)17-34-2)15-19-9-7-18(8-10-19)14-30-11-5-4-6-23(30)32/h4-12,16H,13-15,17H2,1-3H3,(H,26,33)
InChIKeyAKTSEYYIYFHXQV-UHFFFAOYSA-N
XLogP1.96
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 139301821) is 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)n(C)n1.
What is the InChIKey of 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is AKTSEYYIYFHXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-29-24(35-3)12-20(27-29)13-26-25(33)21-16-31(28-22(21)17-34-2)15-19-9-7-18(8-10-19)14-30-11-5-4-6-23(30)32/h4-12,16H,13-15,17H2,1-3H3,(H,26,33).
What are the key properties of 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139301821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).