5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide

C23H16ClFN6O2 — CID 19699094

IUPAC5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cn1)c1cc(Cl)ccc1F
InChIInChI=1S/C23H16ClFN6O2/c24-15-4-5-17(25)16(10-15)22(32)29-19-6-3-14(11-27-19)23(33)31-9-7-13-12-28-30-20(13)21-18(31)2-1-8-26-21/h1-6,8,10-12H,7,9H2,(H,28,30)(H,27,29,32)
InChIKeyXFUNRKPLKRQYRO-UHFFFAOYSA-N
MW462.87 g/mol
LogP4.11
Rot. Bonds3

About 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide

5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide (PubChem CID 19699094) has the molecular formula C23H16ClFN6O2 and a molecular weight of 462.87 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
PubChem CID19699094
Molecular FormulaC23H16ClFN6O2
Molecular Weight462.87 g/mol
Exact Mass462.10
IUPAC Name5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cn1)c1cc(Cl)ccc1F
InChIInChI=1S/C23H16ClFN6O2/c24-15-4-5-17(25)16(10-15)22(32)29-19-6-3-14(11-27-19)23(33)31-9-7-13-12-28-30-20(13)21-18(31)2-1-8-26-21/h1-6,8,10-12H,7,9H2,(H,28,30)(H,27,29,32)
InChIKeyXFUNRKPLKRQYRO-UHFFFAOYSA-N
XLogP4.11
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.87
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
CID 19699131
5-fluoro-2-methyl-N-[4-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)phenyl]benzamide
CID 19699096
(4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone
CID 19699088
N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
CID 70069070
N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide
CID 22903466
N-[5-[(5R)-7-chloro-4,4-difluoro-5-hydroxy-5-(hydroxymethyl)-2,3-dihydro-1-benzazepine-1-carbonyl]-2-pyridinyl]-2-(4-fluorophenyl)benzamide
CID 137373706
[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133445171
N-[3-chloro-4-(4,5-dihydro-1H-pyrazolo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-methylbenzamide
CID 18940518
N-[5-[7-chloro-4,4-difluoro-5-hydroxy-5-(hydroxymethyl)-2,3-dihydro-1-benzazepine-1-carbonyl]-2-pyridinyl]-5-fluoro-2-phenylbenzamide
CID 153301597
N-[5-(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)benzamide
CID 170250298
2-[2-[[5-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-2-pyridinyl]carbamoyl]phenoxy]acetic acid
CID 22903534
2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
CID 22099633

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide (CID 19699094) is 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide is O=C(Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cn1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The InChIKey is XFUNRKPLKRQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6O2/c24-15-4-5-17(25)16(10-15)22(32)29-19-6-3-14(11-27-19)23(33)31-9-7-13-12-28-30-20(13)21-18(31)2-1-8-26-21/h1-6,8,10-12H,7,9H2,(H,28,30)(H,27,29,32).
What are the key properties of 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide has a molecular weight of 462.87 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 19699094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).