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

C24H29N5O5 — CID 144702126

IUPACN-[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
SMILESCC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCN(C5OC(C)O5)C[C@H]4C)oc23)ccn1
InChIInChI=1S/C24H29N5O5/c1-14-11-29(24-32-16(3)33-24)8-7-28(14)12-18-10-19-22(34-18)20(13-27(4)23(19)31)17-5-6-25-21(9-17)26-15(2)30/h5-6,9-10,13-14,16,24H,7-8,11-12H2,1-4H3,(H,25,26,30)/t14-,16?,24?/m1/s1
InChIKeyPYRJFLVDOPABAJ-OUCSSDNDSA-N
MW467.53 g/mol
LogP2.33
Rot. Bonds5

About 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

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 (PubChem CID 144702126) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID144702126
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC NameN-[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
SMILESCC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCN(C5OC(C)O5)C[C@H]4C)oc23)ccn1
InChIInChI=1S/C24H29N5O5/c1-14-11-29(24-32-16(3)33-24)8-7-28(14)12-18-10-19-22(34-18)20(13-27(4)23(19)31)17-5-6-25-21(9-17)26-15(2)30/h5-6,9-10,13-14,16,24H,7-8,11-12H2,1-4H3,(H,25,26,30)/t14-,16?,24?/m1/s1
InChIKeyPYRJFLVDOPABAJ-OUCSSDNDSA-N
XLogP2.33
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144702185
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCN(C5OC(C)O5)C[C@H]4C)oc23)ccn1.
What is the InChIKey of 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?
The InChIKey is PYRJFLVDOPABAJ-OUCSSDNDSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-14-11-29(24-32-16(3)33-24)8-7-28(14)12-18-10-19-22(34-18)20(13-27(4)23(19)31)17-5-6-25-21(9-17)26-15(2)30/h5-6,9-10,13-14,16,24H,7-8,11-12H2,1-4H3,(H,25,26,30)/t14-,16?,24?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 467.53 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144702126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).