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

C18H18FN5 — CID 168772334

IUPAC5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cnc2c(F)cc(-c3c[nH]c4nc(CC(C)C)ncc34)cn12
InChIInChI=1S/C18H18FN5/c1-10(2)4-16-20-8-14-13(7-21-17(14)23-16)12-5-15(19)18-22-6-11(3)24(18)9-12/h5-10H,4H2,1-3H3,(H,20,21,23)
InChIKeyPLIHHTUGNQMZDJ-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.92
Rot. Bonds3

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

5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 168772334) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID168772334
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cnc2c(F)cc(-c3c[nH]c4nc(CC(C)C)ncc34)cn12
InChIInChI=1S/C18H18FN5/c1-10(2)4-16-20-8-14-13(7-21-17(14)23-16)12-5-15(19)18-22-6-11(3)24(18)9-12/h5-10H,4H2,1-3H3,(H,20,21,23)
InChIKeyPLIHHTUGNQMZDJ-UHFFFAOYSA-N
XLogP3.92
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773166
6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline
CID 168773528
5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 168774159
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
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773129
8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168774086
N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774152
6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine
CID 168773512
N-[(4,4-difluorocyclohexyl)methyl]-5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772246
N-(4-ethoxycyclohexyl)-5-[7-fluoro-2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773020
5-[7-fluoro-2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-N-[(1-methylpiperidin-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773625
N-(2,2-dimethylpropyl)-5-[7-fluoro-2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773323

Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 168772334) is 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine is Cc1cnc2c(F)cc(-c3c[nH]c4nc(CC(C)C)ncc34)cn12.
What is the InChIKey of 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is PLIHHTUGNQMZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-10(2)4-16-20-8-14-13(7-21-17(14)23-16)12-5-15(19)18-22-6-11(3)24(18)9-12/h5-10H,4H2,1-3H3,(H,20,21,23).
What are the key properties of 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine?
5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 323.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 168772334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).