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

C25H26N6O4 — CID 139301874

IUPAC3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)n1
InChIInChI=1S/C25H26N6O4/c1-34-17-21-20(25(33)27-13-22-26-11-10-23(28-22)35-2)16-31(29-21)15-19-8-6-18(7-9-19)14-30-12-4-3-5-24(30)32/h3-12,16H,13-15,17H2,1-2H3,(H,27,33)
InChIKeyMHQPAMQKPZNORS-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.02
Rot. Bonds10

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

3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 139301874) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID139301874
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)n1
InChIInChI=1S/C25H26N6O4/c1-34-17-21-20(25(33)27-13-22-26-11-10-23(28-22)35-2)16-31(29-21)15-19-8-6-18(7-9-19)14-30-12-4-3-5-24(30)32/h3-12,16H,13-15,17H2,1-2H3,(H,27,33)
InChIKeyMHQPAMQKPZNORS-UHFFFAOYSA-N
XLogP2.02
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 139301874) is 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)n1.
What is the InChIKey of 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is MHQPAMQKPZNORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-34-17-21-20(25(33)27-13-22-26-11-10-23(28-22)35-2)16-31(29-21)15-19-8-6-18(7-9-19)14-30-12-4-3-5-24(30)32/h3-12,16H,13-15,17H2,1-2H3,(H,27,33).
What are the key properties of 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139301874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).