10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione

C23H24ClFN6O4 — CID 146042261

IUPAC10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione
SMILESO=C1CCCN(C(=O)c2nc3ccc(Cl)cn3c2F)CCCNC(=O)c2ncccc2OCCN1
InChIInChI=1S/C23H24ClFN6O4/c24-15-6-7-17-29-20(21(25)31(17)14-15)23(34)30-11-2-5-18(32)26-10-13-35-16-4-1-8-27-19(16)22(33)28-9-3-12-30/h1,4,6-8,14H,2-3,5,9-13H2,(H,26,32)(H,28,33)
InChIKeySUSAVYLYEURRBN-UHFFFAOYSA-N
MW502.93 g/mol
LogP2.07
Rot. Bonds1

About 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione

10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione (PubChem CID 146042261) has the molecular formula C23H24ClFN6O4 and a molecular weight of 502.93 g/mol. Its IUPAC name is 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione.

Molecular Properties

Compound Name10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione
PubChem CID146042261
Molecular FormulaC23H24ClFN6O4
Molecular Weight502.93 g/mol
Exact Mass502.15
IUPAC Name10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione
SMILESO=C1CCCN(C(=O)c2nc3ccc(Cl)cn3c2F)CCCNC(=O)c2ncccc2OCCN1
InChIInChI=1S/C23H24ClFN6O4/c24-15-6-7-17-29-20(21(25)31(17)14-15)23(34)30-11-2-5-18(32)26-10-13-35-16-4-1-8-27-19(16)22(33)28-9-3-12-30/h1,4,6-8,14H,2-3,5,9-13H2,(H,26,32)(H,28,33)
InChIKeySUSAVYLYEURRBN-UHFFFAOYSA-N
XLogP2.07
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.93
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione?
The IUPAC name of 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione (CID 146042261) is 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione.
What is the SMILES notation for 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione?
The canonical SMILES for 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione is O=C1CCCN(C(=O)c2nc3ccc(Cl)cn3c2F)CCCNC(=O)c2ncccc2OCCN1.
What is the InChIKey of 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione?
The InChIKey is SUSAVYLYEURRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O4/c24-15-6-7-17-29-20(21(25)31(17)14-15)23(34)30-11-2-5-18(32)26-10-13-35-16-4-1-8-27-19(16)22(33)28-9-3-12-30/h1,4,6-8,14H,2-3,5,9-13H2,(H,26,32)(H,28,33).
What are the key properties of 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione?
10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione has a molecular weight of 502.93 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione is sourced from PubChem (CID 146042261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).