3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

C18H18F4N4O3 — CID 174179454

IUPAC3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1nc(OC(F)F)c(F)cc1NCCc1c[nH]c2c(=O)n(CCF)ccc12
InChIInChI=1S/C18H18F4N4O3/c1-28-16-13(8-12(20)15(25-16)29-18(21)22)23-5-2-10-9-24-14-11(10)3-6-26(7-4-19)17(14)27/h3,6,8-9,18,23-24H,2,4-5,7H2,1H3
InChIKeyUDPTUELEWNHXKS-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.10
Rot. Bonds9

About 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 174179454) has the molecular formula C18H18F4N4O3 and a molecular weight of 414.36 g/mol. Its IUPAC name is 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID174179454
Molecular FormulaC18H18F4N4O3
Molecular Weight414.36 g/mol
Exact Mass414.13
IUPAC Name3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1nc(OC(F)F)c(F)cc1NCCc1c[nH]c2c(=O)n(CCF)ccc12
InChIInChI=1S/C18H18F4N4O3/c1-28-16-13(8-12(20)15(25-16)29-18(21)22)23-5-2-10-9-24-14-11(10)3-6-26(7-4-19)17(14)27/h3,6,8-9,18,23-24H,2,4-5,7H2,1H3
InChIKeyUDPTUELEWNHXKS-UHFFFAOYSA-N
XLogP3.10
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 174179454) is 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is COc1nc(OC(F)F)c(F)cc1NCCc1c[nH]c2c(=O)n(CCF)ccc12.
What is the InChIKey of 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is UDPTUELEWNHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O3/c1-28-16-13(8-12(20)15(25-16)29-18(21)22)23-5-2-10-9-24-14-11(10)3-6-26(7-4-19)17(14)27/h3,6,8-9,18,23-24H,2,4-5,7H2,1H3.
What are the key properties of 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 414.36 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]amino]ethyl]-6-(2-fluoroethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 174179454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).