2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide

C24H20FN5O — CID 153326742

IUPAC2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide
SMILESNC(=O)Cc1ccnc2ccc(-c3c(-c4ccc(F)cn4)nc4n3[C@H]3CC[C@@H]4C3)cc12
InChIInChI=1S/C24H20FN5O/c25-16-3-6-20(28-12-16)22-23(30-17-4-1-15(9-17)24(30)29-22)14-2-5-19-18(10-14)13(7-8-27-19)11-21(26)31/h2-3,5-8,10,12,15,17H,1,4,9,11H2,(H2,26,31)/t15-,17+/m1/s1
InChIKeyJWRFPGAHLUQEBB-WBVHZDCISA-N
MW413.46 g/mol
LogP4.15
Rot. Bonds4

About 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide

2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide (PubChem CID 153326742) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide.

Molecular Properties

Compound Name2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide
PubChem CID153326742
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide
SMILESNC(=O)Cc1ccnc2ccc(-c3c(-c4ccc(F)cn4)nc4n3[C@H]3CC[C@@H]4C3)cc12
InChIInChI=1S/C24H20FN5O/c25-16-3-6-20(28-12-16)22-23(30-17-4-1-15(9-17)24(30)29-22)14-2-5-19-18(10-14)13(7-8-27-19)11-21(26)31/h2-3,5-8,10,12,15,17H,1,4,9,11H2,(H2,26,31)/t15-,17+/m1/s1
InChIKeyJWRFPGAHLUQEBB-WBVHZDCISA-N
XLogP4.15
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide with MolForge

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Related Compounds

2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol
CID 134439804
(1R)-4-(6-methyl-2-pyridinyl)-3-[2-(4-methylsulfinylphenyl)-4-pyridinyl]-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 134439691
3-bromo-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;bis(4-(6-methyl-2-pyridinyl)-3-quinoxalin-6-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 157306403
3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide
CID 155622514
1-cyclobutyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide
CID 155622505
1-cyclopropyl-6-fluoro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide
CID 164822589
5-bromo-4-(5-fluoro-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 162760175
3-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 140673910
2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(3-pyridin-3-ylphenyl)ethanone
CID 147346846
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
2-[[8-(5-fluoro-2-pyridinyl)-3-oxo-1H-benzo[e]isoindol-2-yl]methyl]prop-2-enamide
CID 162529140
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone
CID 162717058

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide?
The IUPAC name of 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide (CID 153326742) is 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide.
What is the SMILES notation for 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide?
The canonical SMILES for 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide is NC(=O)Cc1ccnc2ccc(-c3c(-c4ccc(F)cn4)nc4n3[C@H]3CC[C@@H]4C3)cc12.
What is the InChIKey of 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide?
The InChIKey is JWRFPGAHLUQEBB-WBVHZDCISA-N. The full InChI is InChI=1S/C24H20FN5O/c25-16-3-6-20(28-12-16)22-23(30-17-4-1-15(9-17)24(30)29-22)14-2-5-19-18(10-14)13(7-8-27-19)11-21(26)31/h2-3,5-8,10,12,15,17H,1,4,9,11H2,(H2,26,31)/t15-,17+/m1/s1.
What are the key properties of 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide?
2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide has a molecular weight of 413.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide is sourced from PubChem (CID 153326742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).