N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide

C25H23F6N5O2 — CID 146428738

IUPACN-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide
SMILESNC1C[C@@H](C(F)(F)F)CN(c2c(NC(=O)C3C=CC(F)=C(c4c(F)cccc4F)N3)cnc3c2CCO3)C1
InChIInChI=1S/C25H23F6N5O2/c26-15-2-1-3-16(27)20(15)21-17(28)4-5-18(34-21)23(37)35-19-9-33-24-14(6-7-38-24)22(19)36-10-12(25(29,30)31)8-13(32)11-36/h1-5,9,12-13,18,34H,6-8,10-11,32H2,(H,35,37)/t12-,13?,18?/m1/s1
InChIKeyILDBLNXMQOYGON-WHENESEISA-N
MW539.48 g/mol
LogP3.82
Rot. Bonds4

About N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide

N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide (PubChem CID 146428738) has the molecular formula C25H23F6N5O2 and a molecular weight of 539.48 g/mol. Its IUPAC name is N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide
PubChem CID146428738
Molecular FormulaC25H23F6N5O2
Molecular Weight539.48 g/mol
Exact Mass539.18
IUPAC NameN-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide
SMILESNC1C[C@@H](C(F)(F)F)CN(c2c(NC(=O)C3C=CC(F)=C(c4c(F)cccc4F)N3)cnc3c2CCO3)C1
InChIInChI=1S/C25H23F6N5O2/c26-15-2-1-3-16(27)20(15)21-17(28)4-5-18(34-21)23(37)35-19-9-33-24-14(6-7-38-24)22(19)36-10-12(25(29,30)31)8-13(32)11-36/h1-5,9,12-13,18,34H,6-8,10-11,32H2,(H,35,37)/t12-,13?,18?/m1/s1
InChIKeyILDBLNXMQOYGON-WHENESEISA-N
XLogP3.82
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide (CID 146428738) is N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide is NC1C[C@@H](C(F)(F)F)CN(c2c(NC(=O)C3C=CC(F)=C(c4c(F)cccc4F)N3)cnc3c2CCO3)C1.
What is the InChIKey of N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide?
The InChIKey is ILDBLNXMQOYGON-WHENESEISA-N. The full InChI is InChI=1S/C25H23F6N5O2/c26-15-2-1-3-16(27)20(15)21-17(28)4-5-18(34-21)23(37)35-19-9-33-24-14(6-7-38-24)22(19)36-10-12(25(29,30)31)8-13(32)11-36/h1-5,9,12-13,18,34H,6-8,10-11,32H2,(H,35,37)/t12-,13?,18?/m1/s1.
What are the key properties of N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide?
N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide has a molecular weight of 539.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-6-(2,6-difluorophenyl)-5-fluoro-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 146428738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).