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

C27H29N5O4 — CID 139301877

IUPAC3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C
InChIInChI=1S/C27H29N5O4/c1-19-23(28-12-11-25(19)36-3)14-29-27(34)22-17-32(30-24(22)18-35-2)16-21-9-7-20(8-10-21)15-31-13-5-4-6-26(31)33/h4-13,17H,14-16,18H2,1-3H3,(H,29,34)
InChIKeyBUIQZUSRWDPBSM-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.93
Rot. Bonds10

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

3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 139301877) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID139301877
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C
InChIInChI=1S/C27H29N5O4/c1-19-23(28-12-11-25(19)36-3)14-29-27(34)22-17-32(30-24(22)18-35-2)16-21-9-7-20(8-10-21)15-31-13-5-4-6-26(31)33/h4-13,17H,14-16,18H2,1-3H3,(H,29,34)
InChIKeyBUIQZUSRWDPBSM-UHFFFAOYSA-N
XLogP2.93
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Sebetralstat
CID 121365142
Feniralstat
CID 139301832
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
US10364238, Example 64
CID 121365036
US10364238, Example 53
CID 121365056
US10364238, Example 31
CID 121365063
US10364238, Example 66
CID 121365096
US10364238, Example 54
CID 121365119
US10364238, Example 129
CID 121365133
US10364238, Example 42
CID 121365159
N-[(4-chloro-3-fluoro-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 139301812
US11180484, Example 31
CID 139301821

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 139301877) is 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C.
What is the InChIKey of 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is BUIQZUSRWDPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-19-23(28-12-11-25(19)36-3)14-29-27(34)22-17-32(30-24(22)18-35-2)16-21-9-7-20(8-10-21)15-31-13-5-4-6-26(31)33/h4-13,17H,14-16,18H2,1-3H3,(H,29,34).
What are the key properties of 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139301877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).