4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C27H27F4N7O2 — CID 118336444

IUPAC4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1nc(NCC(N)(CF)CF)c2c(n1)NC(=O)C2(C)C
InChIInChI=1S/C27H27F4N7O2/c1-14-20(38-9-5-8-18(24(38)34-14)40-10-15-16(30)6-4-7-17(15)31)23-35-21(33-13-27(32,11-28)12-29)19-22(36-23)37-25(39)26(19,2)3/h4-9H,10-13,32H2,1-3H3,(H2,33,35,36,37,39)
InChIKeyVPSAWGZAAACHCK-UHFFFAOYSA-N
MW557.55 g/mol
LogP4.24
Rot. Bonds9

About 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 118336444) has the molecular formula C27H27F4N7O2 and a molecular weight of 557.55 g/mol. Its IUPAC name is 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID118336444
Molecular FormulaC27H27F4N7O2
Molecular Weight557.55 g/mol
Exact Mass557.22
IUPAC Name4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1nc(NCC(N)(CF)CF)c2c(n1)NC(=O)C2(C)C
InChIInChI=1S/C27H27F4N7O2/c1-14-20(38-9-5-8-18(24(38)34-14)40-10-15-16(30)6-4-7-17(15)31)23-35-21(33-13-27(32,11-28)12-29)19-22(36-23)37-25(39)26(19,2)3/h4-9H,10-13,32H2,1-3H3,(H2,33,35,36,37,39)
InChIKeyVPSAWGZAAACHCK-UHFFFAOYSA-N
XLogP4.24
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.55
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118336444) is 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1nc(NCC(N)(CF)CF)c2c(n1)NC(=O)C2(C)C.
What is the InChIKey of 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VPSAWGZAAACHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N7O2/c1-14-20(38-9-5-8-18(24(38)34-14)40-10-15-16(30)6-4-7-17(15)31)23-35-21(33-13-27(32,11-28)12-29)19-22(36-23)37-25(39)26(19,2)3/h4-9H,10-13,32H2,1-3H3,(H2,33,35,36,37,39).
What are the key properties of 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 557.55 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-3-fluoro-2-(fluoromethyl)propyl]amino]-2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 118336444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).