N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

C21H23ClN8O2 — CID 126562380

IUPACN-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCCc1[nH]c2nc(Oc3cnc4c(c3)ncn4C)nc(N3CCC(NC(C)=O)C3)c2c1Cl
InChIInChI=1S/C21H23ClN8O2/c1-4-14-17(22)16-18(26-14)27-21(28-20(16)30-6-5-12(9-30)25-11(2)31)32-13-7-15-19(23-8-13)29(3)10-24-15/h7-8,10,12H,4-6,9H2,1-3H3,(H,25,31)(H,26,27,28)
InChIKeyQIEUPACJAHPQMK-UHFFFAOYSA-N
MW454.92 g/mol
LogP2.96
Rot. Bonds5

About N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (PubChem CID 126562380) has the molecular formula C21H23ClN8O2 and a molecular weight of 454.92 g/mol. Its IUPAC name is N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
PubChem CID126562380
Molecular FormulaC21H23ClN8O2
Molecular Weight454.92 g/mol
Exact Mass454.16
IUPAC NameN-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCCc1[nH]c2nc(Oc3cnc4c(c3)ncn4C)nc(N3CCC(NC(C)=O)C3)c2c1Cl
InChIInChI=1S/C21H23ClN8O2/c1-4-14-17(22)16-18(26-14)27-21(28-20(16)30-6-5-12(9-30)25-11(2)31)32-13-7-15-19(23-8-13)29(3)10-24-15/h7-8,10,12H,4-6,9H2,1-3H3,(H,25,31)(H,26,27,28)
InChIKeyQIEUPACJAHPQMK-UHFFFAOYSA-N
XLogP2.96
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 78113531
5-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]pyrimidine-2-carboxamide
CID 89460987
7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 126562690
1-[1-[5-chloro-6-ethyl-2-(2-methylpyrimidin-5-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]-N,N-dimethylmethanamine
CID 126551249
N-[3-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 89460612
5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
CID 89460698
N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide
CID 135205014
N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402563
ethyl 2-[[1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methylamino]-2-oxoacetate
CID 89460947
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
(3S)-1-[2-[2-(3-aminoazetidin-1-yl)quinoxalin-6-yl]sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 126563705
7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylquinoline-4-carboxylic acid
CID 126551098

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (CID 126562380) is N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is CCc1[nH]c2nc(Oc3cnc4c(c3)ncn4C)nc(N3CCC(NC(C)=O)C3)c2c1Cl.
What is the InChIKey of N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is QIEUPACJAHPQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN8O2/c1-4-14-17(22)16-18(26-14)27-21(28-20(16)30-6-5-12(9-30)25-11(2)31)32-13-7-15-19(23-8-13)29(3)10-24-15/h7-8,10,12H,4-6,9H2,1-3H3,(H,25,31)(H,26,27,28).
What are the key properties of N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 454.92 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-6-ethyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 126562380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).