2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C26H21F4N5O2 — CID 156830808

IUPAC2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCOc4ccc(F)nc43)ccc2nc1N
InChIInChI=1S/C26H21F4N5O2/c1-14-10-16-11-15(2-5-19(16)33-24(14)31)25(36)35(13-18-4-3-17(12-32-18)26(28,29)30)20-8-9-37-21-6-7-22(27)34-23(20)21/h2-7,10-12,20H,8-9,13H2,1H3,(H2,31,33)/t20-/m1/s1
InChIKeyCZVLPMDTXLXSPD-HXUWFJFHSA-N
MW511.48 g/mol
LogP5.24
Rot. Bonds4

About 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830808) has the molecular formula C26H21F4N5O2 and a molecular weight of 511.48 g/mol. Its IUPAC name is 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830808
Molecular FormulaC26H21F4N5O2
Molecular Weight511.48 g/mol
Exact Mass511.16
IUPAC Name2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCOc4ccc(F)nc43)ccc2nc1N
InChIInChI=1S/C26H21F4N5O2/c1-14-10-16-11-15(2-5-19(16)33-24(14)31)25(36)35(13-18-4-3-17(12-32-18)26(28,29)30)20-8-9-37-21-6-7-22(27)34-23(20)21/h2-7,10-12,20H,8-9,13H2,1H3,(H2,31,33)/t20-/m1/s1
InChIKeyCZVLPMDTXLXSPD-HXUWFJFHSA-N
XLogP5.24
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830808) is 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCOc4ccc(F)nc43)ccc2nc1N.
What is the InChIKey of 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is CZVLPMDTXLXSPD-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H21F4N5O2/c1-14-10-16-11-15(2-5-19(16)33-24(14)31)25(36)35(13-18-4-3-17(12-32-18)26(28,29)30)20-8-9-37-21-6-7-22(27)34-23(20)21/h2-7,10-12,20H,8-9,13H2,1H3,(H2,31,33)/t20-/m1/s1.
What are the key properties of 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 511.48 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).