6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline

C23H15FN6 — CID 168773528

IUPAC6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline
SMILESCc1cnc2c(F)cc(-c3c[nH]c4nc(-c5ccc6ncccc6c5)ncc34)cn12
InChIInChI=1S/C23H15FN6/c1-13-9-28-23-19(24)8-16(12-30(13)23)17-10-27-22-18(17)11-26-21(29-22)15-4-5-20-14(7-15)3-2-6-25-20/h2-12H,1H3,(H,26,27,29)
InChIKeyUSWNXZDFEWKMBR-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.94
Rot. Bonds2

About 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline

6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline (PubChem CID 168773528) has the molecular formula C23H15FN6 and a molecular weight of 394.41 g/mol. Its IUPAC name is 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline
PubChem CID168773528
Molecular FormulaC23H15FN6
Molecular Weight394.41 g/mol
Exact Mass394.13
IUPAC Name6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline
SMILESCc1cnc2c(F)cc(-c3c[nH]c4nc(-c5ccc6ncccc6c5)ncc34)cn12
InChIInChI=1S/C23H15FN6/c1-13-9-28-23-19(24)8-16(12-30(13)23)17-10-27-22-18(17)11-26-21(29-22)15-4-5-20-14(7-15)3-2-6-25-20/h2-12H,1H3,(H,26,27,29)
InChIKeyUSWNXZDFEWKMBR-UHFFFAOYSA-N
XLogP4.94
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 168772334
N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 168773021
2-(1-methylpiperidin-4-yl)oxy-7-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinoxaline
CID 168773683
5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773752
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 154655048
5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
CID 66304285
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 141307898
6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
CID 115393947
6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline
CID 122510407
(6-bromo-8-fluoroimidazo[1,2-a]pyridin-3-yl)-quinolin-6-ylmethanol
CID 123899944
N',N'-diethyl-N-[[2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
CID 123313201

Frequently Asked Questions

What is the IUPAC name of 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline?
The IUPAC name of 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline (CID 168773528) is 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline.
What is the SMILES notation for 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline?
The canonical SMILES for 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline is Cc1cnc2c(F)cc(-c3c[nH]c4nc(-c5ccc6ncccc6c5)ncc34)cn12.
What is the InChIKey of 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline?
The InChIKey is USWNXZDFEWKMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6/c1-13-9-28-23-19(24)8-16(12-30(13)23)17-10-27-22-18(17)11-26-21(29-22)15-4-5-20-14(7-15)3-2-6-25-20/h2-12H,1H3,(H,26,27,29).
What are the key properties of 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline?
6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline has a molecular weight of 394.41 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline is sourced from PubChem (CID 168773528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).