N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide

C22H25N5O4 — CID 144702185

IUPACN-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCN(C=O)CC4C)oc23)ccn1
InChIInChI=1S/C22H25N5O4/c1-14-10-26(13-28)6-7-27(14)11-17-9-18-21(31-17)19(12-25(3)22(18)30)16-4-5-23-20(8-16)24-15(2)29/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,23,24,29)
InChIKeyJXONLRYBSLRZGV-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.81
Rot. Bonds5

About N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide

N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide (PubChem CID 144702185) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
PubChem CID144702185
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCN(C=O)CC4C)oc23)ccn1
InChIInChI=1S/C22H25N5O4/c1-14-10-26(13-28)6-7-27(14)11-17-9-18-21(31-17)19(12-25(3)22(18)30)16-4-5-23-20(8-16)24-15(2)29/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,23,24,29)
InChIKeyJXONLRYBSLRZGV-UHFFFAOYSA-N
XLogP1.81
TPSA100.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299478
N-[4-[5-methyl-2-[[(2R)-2-methyl-4-(4-methyl-1,3-dioxetan-2-yl)piperazin-1-yl]methyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144702126
N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662597
N-[4-[5-methyl-4-oxo-2-[(3-oxo-1,4-diazepan-1-yl)methyl]furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662552
7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 144702195
7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 90448596
N-[4-[5-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299734
N-[4-[5-methyl-2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662591
N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 122603196
7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one
CID 118662530
N-[4-[2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 122603120
N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide
CID 86299402

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide (CID 144702185) is N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCN(C=O)CC4C)oc23)ccn1.
What is the InChIKey of N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The InChIKey is JXONLRYBSLRZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-10-26(13-28)6-7-27(14)11-17-9-18-21(31-17)19(12-25(3)22(18)30)16-4-5-23-20(8-16)24-15(2)29/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,23,24,29).
What are the key properties of N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 144702185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).