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

C28H30N4O4 — CID 139301810

IUPAC3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C
InChIInChI=1S/C28H30N4O4/c1-20-7-12-24(36-3)14-23(20)15-29-28(34)25-18-32(30-26(25)19-35-2)17-22-10-8-21(9-11-22)16-31-13-5-4-6-27(31)33/h4-14,18H,15-17,19H2,1-3H3,(H,29,34)
InChIKeyIYZKNUPIGJTMIO-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.53
Rot. Bonds10

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

3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 139301810) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID139301810
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C
InChIInChI=1S/C28H30N4O4/c1-20-7-12-24(36-3)14-23(20)15-29-28(34)25-18-32(30-26(25)19-35-2)17-22-10-8-21(9-11-22)16-31-13-5-4-6-27(31)33/h4-14,18H,15-17,19H2,1-3H3,(H,29,34)
InChIKeyIYZKNUPIGJTMIO-UHFFFAOYSA-N
XLogP3.53
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Sebetralstat
CID 121365142
Feniralstat
CID 139301832
Kallikrein-IN-1
CID 121365006
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
1-Tert-butyl-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide
CID 76328362
US10364238, Example 132
CID 121365023
US10364238, Example 64
CID 121365036
US10364238, Example 53
CID 121365056
US10364238, Example 66
CID 121365096
US10364238, Example 54
CID 121365119
US10364238, Example 52
CID 121365123
US10364238, Example 129
CID 121365133

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 139301810) is 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C.
What is the InChIKey of 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is IYZKNUPIGJTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-20-7-12-24(36-3)14-23(20)15-29-28(34)25-18-32(30-26(25)19-35-2)17-22-10-8-21(9-11-22)16-31-13-5-4-6-27(31)33/h4-14,18H,15-17,19H2,1-3H3,(H,29,34).
What are the key properties of 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(5-methoxy-2-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139301810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).