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

C19H18F2N6 — CID 168774152

IUPACN-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cn2cc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc(F)c2n1
InChIInChI=1S/C19H18F2N6/c1-11-8-27-9-12(5-15(20)17(27)25-11)13-6-22-16-14(13)7-23-18(26-16)24-10-19(21)3-2-4-19/h5-9H,2-4,10H2,1H3,(H2,22,23,24,26)
InChIKeyXSTQCMKKZFUHMX-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.02
Rot. Bonds4

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

N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168774152) has the molecular formula C19H18F2N6 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168774152
Molecular FormulaC19H18F2N6
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC NameN-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cn2cc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc(F)c2n1
InChIInChI=1S/C19H18F2N6/c1-11-8-27-9-12(5-15(20)17(27)25-11)13-6-22-16-14(13)7-23-18(26-16)24-10-19(21)3-2-4-19/h5-9H,2-4,10H2,1H3,(H2,22,23,24,26)
InChIKeyXSTQCMKKZFUHMX-UHFFFAOYSA-N
XLogP4.02
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773885
5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774235
N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773166
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-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773475
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
5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 168772334
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
N-[(1-methylcyclopropyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774035
8-fluoro-6-(2-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 175581165
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
6-(4,5-dimethyl-2-pyridinyl)-8-fluoro-2-methylimidazo[1,2-a]pyridine
CID 153383007

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 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) is N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cn2cc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc(F)c2n1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XSTQCMKKZFUHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6/c1-11-8-27-9-12(5-15(20)17(27)25-11)13-6-22-16-14(13)7-23-18(26-16)24-10-19(21)3-2-4-19/h5-9H,2-4,10H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 368.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168774152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).