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

C75H60F3N15O3 — CID 159541906

IUPAC4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3C3CCC4C3)ccn2)cc1.NC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3[C@@H]3CC[C@H]4C3)ccn2)cc1.NC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3[C@H]3CC[C@@H]4C3)ccn2)cc1
InChIInChI=1S/3C25H20FN5O/c3*26-18-6-8-20(29-13-18)22-23(31-19-7-5-17(11-19)25(31)30-22)16-9-10-28-21(12-16)14-1-3-15(4-2-14)24(27)32/h3*1-4,6,8-10,12-13,17,19H,5,7,11H2,(H2,27,32)/t2*17-,19+;/m10./s1
InChIKeyMEHYNLRCOIXCTG-JWPBKWQVSA-N
MW1276.40 g/mol
LogP14.20
Rot. Bonds12

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

4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide (PubChem CID 159541906) has the molecular formula C75H60F3N15O3 and a molecular weight of 1276.40 g/mol. Its IUPAC name is 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide
PubChem CID159541906
Molecular FormulaC75H60F3N15O3
Molecular Weight1276.40 g/mol
Exact Mass1275.50
IUPAC Name4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3C3CCC4C3)ccn2)cc1.NC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3[C@@H]3CC[C@H]4C3)ccn2)cc1.NC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3[C@H]3CC[C@@H]4C3)ccn2)cc1
InChIInChI=1S/3C25H20FN5O/c3*26-18-6-8-20(29-13-18)22-23(31-19-7-5-17(11-19)25(31)30-22)16-9-10-28-21(12-16)14-1-3-15(4-2-14)24(27)32/h3*1-4,6,8-10,12-13,17,19H,5,7,11H2,(H2,27,32)/t2*17-,19+;/m10./s1
InChIKeyMEHYNLRCOIXCTG-JWPBKWQVSA-N
XLogP14.20
TPSA260.07 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001276.40
LogP ≤ 514.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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

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Related Compounds

US10906905, Example 41-1
CID 134439635
US10906905, Example 4
CID 134439647
US10906905, Example 4-2
CID 134439729
US10906905, Example 4-1
CID 134439734
4-[4-[4-(5-Fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide
CID 134439633
4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide
CID 134439763
(3-Fluoro-2-iodophenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[(5-methylpyrazin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157254341
(3-Fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-5-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157287011
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide
CID 158651985
[3-Fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158813822
1-[(4S)-5-acetyl-3-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[(4S)-3-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one
CID 158999071
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[methyl-[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158999512

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide (CID 159541906) is 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3C3CCC4C3)ccn2)cc1.NC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3[C@@H]3CC[C@H]4C3)ccn2)cc1.NC(=O)c1ccc(-c2cc(-c3c(-c4ccc(F)cn4)nc4n3[C@H]3CC[C@@H]4C3)ccn2)cc1.
What is the InChIKey of 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide?
The InChIKey is MEHYNLRCOIXCTG-JWPBKWQVSA-N. The full InChI is InChI=1S/3C25H20FN5O/c3*26-18-6-8-20(29-13-18)22-23(31-19-7-5-17(11-19)25(31)30-22)16-9-10-28-21(12-16)14-1-3-15(4-2-14)24(27)32/h3*1-4,6,8-10,12-13,17,19H,5,7,11H2,(H2,27,32)/t2*17-,19+;/m10./s1.
What are the key properties of 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide?
4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide has a molecular weight of 1276.40 g/mol, XLogP of 14.20, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide;4-[4-[4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 159541906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).