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

C18H17F2N5 — CID 168774159

IUPAC5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)Cc1ncc2c(-c3ccc4ncc(C(F)F)n4c3)c[nH]c2n1
InChIInChI=1S/C18H17F2N5/c1-10(2)5-15-21-7-13-12(6-23-18(13)24-15)11-3-4-16-22-8-14(17(19)20)25(16)9-11/h3-4,6-10,17H,5H2,1-2H3,(H,21,23,24)
InChIKeyQWCVJONSHMSWOW-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.41
Rot. Bonds4

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

5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 168774159) has the molecular formula C18H17F2N5 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID168774159
Molecular FormulaC18H17F2N5
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)Cc1ncc2c(-c3ccc4ncc(C(F)F)n4c3)c[nH]c2n1
InChIInChI=1S/C18H17F2N5/c1-10(2)5-15-21-7-13-12(6-23-18(13)24-15)11-3-4-16-22-8-14(17(19)20)25(16)9-11/h3-4,6-10,17H,5H2,1-2H3,(H,21,23,24)
InChIKeyQWCVJONSHMSWOW-UHFFFAOYSA-N
XLogP4.41
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-ethoxy-5-imidazo[1,2-a]pyridin-6-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 168772653
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
5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773461
N-(2,2-difluoroethyl)-6-[2-[[4-(trifluoromethoxy)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773207
N-(2,2-difluoroethyl)-6-[2-[3-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773740
N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773166
3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
CID 168773462
1-ethyl-4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 168773971
1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168772565
[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol
CID 134546599
6-[5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]quinoline
CID 168773528

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 168774159) is 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine is CC(C)Cc1ncc2c(-c3ccc4ncc(C(F)F)n4c3)c[nH]c2n1.
What is the InChIKey of 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QWCVJONSHMSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5/c1-10(2)5-15-21-7-13-12(6-23-18(13)24-15)11-3-4-16-22-8-14(17(19)20)25(16)9-11/h3-4,6-10,17H,5H2,1-2H3,(H,21,23,24).
What are the key properties of 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine?
5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 341.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 168774159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).