4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C22H16F6N4O2 — CID 164867568

IUPAC4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)C1c2ccc(C(F)(F)F)nc2CC1(F)F
InChIInChI=1S/C22H16F6N4O2/c1-32(18-9-2-3-17(22(26,27)28)30-16(9)6-21(18,24)25)20(33)11-4-10-12-7-34-8-13(12)19(29)31-15(10)5-14(11)23/h2-5,18H,6-8H2,1H3,(H2,29,31)
InChIKeyARJFXKHYXINYOQ-UHFFFAOYSA-N
MW482.38 g/mol
LogP4.40
Rot. Bonds2

About 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 164867568) has the molecular formula C22H16F6N4O2 and a molecular weight of 482.38 g/mol. Its IUPAC name is 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID164867568
Molecular FormulaC22H16F6N4O2
Molecular Weight482.38 g/mol
Exact Mass482.12
IUPAC Name4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)C1c2ccc(C(F)(F)F)nc2CC1(F)F
InChIInChI=1S/C22H16F6N4O2/c1-32(18-9-2-3-17(22(26,27)28)30-16(9)6-21(18,24)25)20(33)11-4-10-12-7-34-8-13(12)19(29)31-15(10)5-14(11)23/h2-5,18H,6-8H2,1H3,(H2,29,31)
InChIKeyARJFXKHYXINYOQ-UHFFFAOYSA-N
XLogP4.40
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 164867568) is 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)C1c2ccc(C(F)(F)F)nc2CC1(F)F.
What is the InChIKey of 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is ARJFXKHYXINYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N4O2/c1-32(18-9-2-3-17(22(26,27)28)30-16(9)6-21(18,24)25)20(33)11-4-10-12-7-34-8-13(12)19(29)31-15(10)5-14(11)23/h2-5,18H,6-8H2,1H3,(H2,29,31).
What are the key properties of 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).